345830 <common-name>2-[[4-(4-bromophenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-n-(4-phenoxyphenyl)acetamide</common-name> <description>2-[[4-(4-bromophenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-n-(4-phenoxyphenyl)acetamide is a chemical compound with the formula C27H20BrN5O2S. With an average molecular weight of 558.50 g/mol, 2-[[4-(4-bromophenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-n-(4-phenoxyphenyl)acetamide is a heavy molecule.</description> <cas nil="true"/> <pubchem-id>1634910</pubchem-id> <chemical-formula>C27H20BrN5O2S</chemical-formula> <weight>558.5</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">2026-08-31T08:50:26Z</created-at> <updated-at type="dateTime">2026-08-31T08:50:26Z</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>C1=CC=C(C=C1)OC2=CC=C(C=C2)NC(=O)CSC3=NN=C(N3C4=CC=C(C=C4)Br)C5=CC=NC=C5</moldb-smiles> <moldb-formula>C27H20BrN5O2S</moldb-formula> <moldb-inchi>InChI=1S/C27H20BrN5O2S/c28-20-6-10-22(11-7-20)33-26(19-14-16-29-17-15-19)31-32-27(33)36-18-25(34)30-21-8-12-24(13-9-21)35-23-4-2-1-3-5-23/h1-17H,18H2,(H,30,34)</moldb-inchi> <moldb-inchikey>UKSLRYLOSGLUFO-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">557.05211</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>5.6</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>CHEM341723</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-(4-bromophenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-n-(4-phenoxyphenyl)acetamide</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>Benzenoids</superklass> <klass>Benzene and substituted derivatives</klass> <subklass>Diphenylethers</subklass> <paper-count type="integer" nil="true"/> <sync-id>CED0296184</sync-id> <structure-inchikey>UKSLRYLOSGLUFO-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>4000200000800000000800000000000000000140000000004000000000000000000000200004008000002184000000000000000000000000200000000000000080200000000000000000000020000000000100000200800010000000000000010000000010000000000000040400000100000000000000000000000000000000000400800000000000000084880000010100800000000008000000000000000000000000000000080000000000000000410000000000002c00000000000000000000001000400100004000000000000000002000000200000000000000008040000000002040000000000400000000010000000040000000000000</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle type="binary" encoding="base64">776t3gAAAAAQAAAAAwAAAAAAAAAkAAAAKAAAAIABBkBoAAAAAwMBBkBoAAAA AwMBBkBoAAAAAwMBBkAoAAAAAwQGQGgAAAADAwEGQGgAAAADAwEIACgAAAAD AgZAKAAAAAMEBkBoAAAAAwMBBkBoAAAAAwMBBkAoAAAAAwQGQGgAAAADAwEG QGgAAAADAwEHAGgAAAADAgEGACgAAAADBAgAKAAAAAMCBgBgAAAAAgIQACAA AAACBkAoAAAAAwQHQCgAAAADAwdAKAAAAAMDBkAoAAAAAwQHQCgAAAADAwZA KAAAAAMEBkBoAAAAAwMBBkBoAAAAAwMBBkAoAAAAAwQGQGgAAAADAwEGQGgA AAADAwEjACAAAAABBkAoAAAAAwQGQGgAAAADAwEGQGgAAAADAwEHQCgAAAAD AwZAaAAAAAMDAQZAaAAAAAMDAQsAAWgMAQJoDAIDaAwDBGgMBAVoDAMGIAYH IAcIaAwICWgMCQpoDAoLaAwLDGgMCg0gDQ4gDg8oAg4QABARABESABITaAwT FGgMFBVoDBUWaAwWFyAXGGgMGBloDBkaaAwaG2gMGxxoDBodABUeIB4faAwf IGgMICFoDCEiaAwiI2gMBQBoDAwHaAwWEmgMHBdoDCMeaAxCBQAAAAYABQQD AgEGCAkKCwwHBRMSFhUUBhgZGhscFwYfICEiIx4XBAAAAAAAAAAW </structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T05:44:45Z</structure-indexed-at> </compound>