338077 <common-name>2-[[4-(2-bromophenyl)-5-[(4-methylphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]-1-(3-nitrophenyl)ethanone</common-name> <description>2-[[4-(2-bromophenyl)-5-[(4-methylphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]-1-(3-nitrophenyl)ethanone is a chemical compound with the formula C24H19BrN4O4S. With an average molecular weight of 539.40 g/mol, 2-[[4-(2-bromophenyl)-5-[(4-methylphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]-1-(3-nitrophenyl)ethanone is a heavy molecule.</description> <cas>618441-34-2</cas> <pubchem-id>3842047</pubchem-id> <chemical-formula>C24H19BrN4O4S</chemical-formula> <weight>539.4</weight> <appearance nil="true"/> <melting-point nil="true"/> <boiling-point nil="true"/> <density nil="true"/> <solubility nil="true"/> <specific-gravity nil="true"/> <flash-point nil="true"/> <vapour-pressure nil="true"/> <route-of-exposure nil="true"/> <target nil="true"/> <mechanism-of-toxicity nil="true"/> <metabolism nil="true"/> <toxicity nil="true"/> <lethaldose nil="true"/> <carcinogenicity nil="true"/> <use-source nil="true"/> <min-risk-level nil="true"/> <health-effects nil="true"/> <symptoms nil="true"/> <treatment nil="true"/> <created-at type="dateTime">2026-08-30T21:07:22Z</created-at> <updated-at type="dateTime">2026-08-30T21:07:22Z</updated-at> <interacting-proteins nil="true"/> <wikipedia nil="true"/> <uniprot-id nil="true"/> <kegg-compound-id nil="true"/> <omim-id nil="true"/> <chebi-id nil="true"/> <biocyc-id nil="true"/> <ctd-id nil="true"/> <stitch-id nil="true"/> <drugbank-id nil="true"/> <pdb-id nil="true"/> <actor-id nil="true"/> <organism nil="true"/> <export type="boolean">true</export> <metabolizing-proteins nil="true"/> <transporting-proteins nil="true"/> <moldb-smiles>CC1=CC=C(C=C1)OCC2=NN=C(N2C3=CC=CC=C3Br)SCC(=O)C4=CC(=CC=C4)[N+](=O)[O-]</moldb-smiles> <moldb-formula>C24H19BrN4O4S</moldb-formula> <moldb-inchi>InChI=1S/C24H19BrN4O4S/c1-16-9-11-19(12-10-16)33-14-23-26-27-24(28(23)21-8-3-2-7-20(21)25)34-15-22(30)17-5-4-6-18(13-17)29(31)32/h2-13H,14-15H2,1H3</moldb-inchi> <moldb-inchikey>UWYVHMOEPCJKPR-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">538.03104</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>5.7</logp> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id nil="true"/> <structure-image-file-name nil="true"/> <structure-image-content-type nil="true"/> <structure-image-file-size type="integer" nil="true"/> <structure-image-updated-at type="dateTime" nil="true"/> <biodb-id nil="true"/> <synthesis-reference nil="true"/> <structure-image-caption nil="true"/> <chemdb-id>CHEM333970</chemdb-id> <dsstox-id nil="true"/> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id nil="true"/> <iupac>2-[[4-(2-bromophenyl)-5-[(4-methylphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]-1-(3-nitrophenyl)ethanone</iupac> <moldb-polar-surface-area nil="true"/> <moldb-refractivity nil="true"/> <moldb-polarizability nil="true"/> <moldb-rotatable-bond-count nil="true"/> <moldb-acceptor-count nil="true"/> <moldb-donor-count nil="true"/> <moldb-pka-strongest-acidic nil="true"/> <moldb-pka-strongest-basic nil="true"/> <moldb-physiological-charge nil="true"/> <moldb-number-of-rings nil="true"/> <moldb-alogps-logp nil="true"/> <moldb-alogps-logs nil="true"/> <moldb-alogps-solubility nil="true"/> <kingdom>Organic compounds</kingdom> <superklass>Organic oxygen compounds</superklass> <klass>Organooxygen compounds</klass> <subklass>Carbonyl compounds</subklass> <paper-count type="integer" nil="true"/> <sync-id>CED0288506</sync-id> <structure-inchikey>UWYVHMOEPCJKPR-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>400001800002000800000000000000000000000000001000000000000000000002200004000000002080000000000000000000000020000000000000000000000000000000000000000022000001000100001200800050400000000000010000004200000400100002000000000102000000000000000000000001000040000000800000004002000000080000001100000000000000000020000100000000000000000000084000000000000000480000000000000400000000000000000000000021000100010000000000050000002000000200000000000000400100000000000040000000000480000800011000004040000000000000</structure-fingerprint> <structure-pattern-fingerprint>5034c0008d32864081001b608138a1000000140087052000003d20f08224494c6c022018119000001100410800c00080046002a4408d32290024643904a04010d7110c001290064800901040007212800804858053211f3340040462400249440c21052f0048922960080400cdb4024fa08280700121e18c7118086002510002104821084ef082080c0602504aac0018391d8a1244401e8a54008820604060a4404730111090c02000011860017c35104ac200028941084018204a104cc00272a04010a424d8303205818400541513900c010000020050600d7282040800c300901049100889010011020013d41220820050003080c2040e0108120052100602</structure-pattern-fingerprint> <structure-pickle type="binary" encoding="base64">776t3gAAAAAQAAAAAwAAAAAAAAAiAAAAJQAAAIABBgBgAAAAAQMGQCgAAAAD BAZAaAAAAAMDAQZAaAAAAAMDAQZAKAAAAAMEBkBoAAAAAwMBBkBoAAAAAwMB CAAoAAAAAwIGAGAAAAACAgZAKAAAAAMEB0AoAAAAAwMHQCgAAAADAwZAKAAA AAMEB0AoAAAAAwMGQCgAAAADBAZAaAAAAAMDAQZAaAAAAAMDAQZAaAAAAAMD AQZAaAAAAAMDAQZAKAAAAAMEIwAgAAAAARAAIAAAAAIGAGAAAAACAgYAKAAA AAMECAAoAAAAAwIGQCgAAAADBAZAaAAAAAMDAQZAKAAAAAMEBkBoAAAAAwMB BkBoAAAAAwMBBkBoAAAAAwMBByAqAAAAAQMECAAoAAAAAwIIICoAAAD/AwEL AAEAAQJoDAIDaAwDBGgMBAVoDAUGaAwEByAHCAAICQAJCmgMCgtoDAsMaAwM DWgMDQ4gDg9oDA8QaAwQEWgMERJoDBITaAwTFAAMFQAVFgAWFwAXGCgCFxkg GRpoDBobaAwbHGgMHB1oDB0eaAwbHyAfICgCHyEgBgFoDA0JaAwTDmgMHhlo DEIEAAAABgEGBQQDAgUKCQ0MCwYPEBESEw4GGhscHR4ZFwQAAAAAAAAAFg== </structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T05:38:57Z</structure-indexed-at> </compound>