347870 <common-name>2-[[5-(4-tert-butylphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-n-[(e)-[4-(trifluoromethyl)phenyl]methylideneamino]acetamide</common-name> <description>2-[[5-(4-tert-butylphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-n-[(e)-[4-(trifluoromethyl)phenyl]methylideneamino]acetamide is a chemical compound with the formula C28H26F3N5OS. With an average molecular weight of 537.60 g/mol, 2-[[5-(4-tert-butylphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-n-[(e)-[4-(trifluoromethyl)phenyl]methylideneamino]acetamide is a heavy molecule.</description> <cas>303105-58-0</cas> <pubchem-id>6887394</pubchem-id> <chemical-formula>C28H26F3N5OS</chemical-formula> <weight>537.6</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">2026-08-31T11:42:43Z</created-at> <updated-at type="dateTime">2026-08-31T11:42:43Z</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>CC(C)(C)C1=CC=C(C=C1)C2=NN=C(N2C3=CC=CC=C3)SCC(=O)NN=CC4=CC=C(C=C4)C(F)(F)F</moldb-smiles> <moldb-formula>C28H26F3N5OS</moldb-formula> <moldb-inchi>InChI=1S/C28H26F3N5OS/c1-27(2,3)21-15-11-20(12-16-21)25-34-35-26(36(25)23-7-5-4-6-8-23)38-18-24(37)33-32-17-19-9-13-22(14-10-19)28(29,30)31/h4-17H,18H2,1-3H3,(H,33,37)/b32-17+</moldb-inchi> <moldb-inchikey>YYXQEEKLCOQUNK-VTNSRFBWSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">537.1810161</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>7.1</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>CHEM343763</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-[[5-(4-tert-butylphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-n-[(e)-[4-(trifluoromethyl)phenyl]methylideneamino]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>Organoheterocyclic compounds</superklass> <klass>Azoles</klass> <subklass>Triazoles</subklass> <paper-count type="integer" nil="true"/> <sync-id>CED0298206</sync-id> <structure-inchikey>YYXQEEKLCOQUNK-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>40404000200000800000002800000000000000000000000000000000000002000000000402000004008000002184800000000000000000000000200000000000000000000000000000000000000020000000000200000004000010000000000000014000000000000080000000800000080100000000000000000000000000004040000000800000000000000080880000010100000000000000080000000000000000001000000000080000000040000000440000000000002c00000000000800004000000000000000000000400000000000002000000200000000000000000040000000001048000000000400800000010000000040000000004000</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle type="binary" encoding="base64">776t3gAAAAAQAAAAAwAAAAAAAAAmAAAAKQAAAIABBgBgAAAAAQMGACAAAAAE BgBgAAAAAQMGAGAAAAABAwZAKAAAAAMEBkBoAAAAAwMBBkBoAAAAAwMBBkAo AAAAAwQGQGgAAAADAwEGQGgAAAADAwEGQCgAAAADBAdAKAAAAAMDB0AoAAAA AwMGQCgAAAADBAdAKAAAAAMDBkAoAAAAAwQGQGgAAAADAwEGQGgAAAADAwEG QGgAAAADAwEGQGgAAAADAwEGQGgAAAADAwEQACAAAAACBgBgAAAAAgIGACgA AAADBAgAKAAAAAMCBwBoAAAAAwIBBwAoAAAAAwMGAGgAAAADAwEGQCgAAAAD BAZAaAAAAAMDAQZAaAAAAAMDAQZAKAAAAAMEBkBoAAAAAwMBBkBoAAAAAwMB BgAgAAAABAkAIAAAAAEJACAAAAABCQAgAAAAAQsAAQABAgABAwABBAAEBWgM BQZoDAYHaAwHCGgMCAloDAcKIAoLaAwLDGgMDA1oDA0OaAwODyAPEGgMEBFo DBESaAwSE2gMExRoDA0VABUWABYXABcYKAIXGSAZGiAaGygCGxwgHB1oDB0e aAweH2gMHyBoDCAhaAwfIgAiIwAiJAAiJQAJBGgMDgpoDBQPaAwhHGgMQgQA AAAGBAkIBwYFBQsKDg0MBhAREhMUDwYdHh8gIRwXBAAAAAAAAAAW </structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T05:46:25Z</structure-indexed-at> </compound>