334274 <common-name>4-[[5-(4-chlorophenyl)-4-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzonitrile</common-name> <description>4-[[5-(4-chlorophenyl)-4-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzonitrile is a chemical compound with the formula C23H17ClN4S. It has an average molecular weight of 416.90 g/mol.</description> <cas>477331-21-8</cas> <pubchem-id>4420672</pubchem-id> <chemical-formula>C23H17ClN4S</chemical-formula> <weight>416.9</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">2026-08-30T15:53:38Z</created-at> <updated-at type="dateTime">2026-08-30T15:53:38Z</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)N2C(=NN=C2SCC3=CC=C(C=C3)C#N)C4=CC=C(C=C4)Cl</moldb-smiles> <moldb-formula>C23H17ClN4S</moldb-formula> <moldb-inchi>InChI=1S/C23H17ClN4S/c1-16-2-12-21(13-3-16)28-22(19-8-10-20(24)11-9-19)26-27-23(28)29-15-18-6-4-17(14-25)5-7-18/h2-13H,15H2,1H3</moldb-inchi> <moldb-inchikey>WQUMQPICPZBANC-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">416.0862454</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>5.8</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>CHEM330167</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>4-[[5-(4-chlorophenyl)-4-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzonitrile</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>CED0284752</sync-id> <structure-inchikey>WQUMQPICPZBANC-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>200000200000800002000800000000000000000000000080005000000000000000004200000004008000002000000000000000000001000000200000000000000000400000000000000100000000000020000000000000000010002000000200000080000000000000000000800000000100000000000000000000000000000040020000000000000000800000880000010000000000000000000000100000000000000000000000088000000000000000400000000000000c00000000000000000000000000000000000000000010000000002000000220000000000000000140000000000040000000000080000000200000000040000000000000</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle type="binary" encoding="base64">776t3gAAAAAQAAAAAwAAAAAAAAAdAAAAIAAAAIABBgBgAAAAAQMGQCgAAAAD BAZAaAAAAAMDAQZAaAAAAAMDAQZAKAAAAAMEBkBoAAAAAwMBBkBoAAAAAwMB B0AoAAAAAwMGQCgAAAADBAdAKAAAAAMDB0AoAAAAAwMGQCgAAAADBBAAIAAA AAIGAGAAAAACAgZAKAAAAAMEBkBoAAAAAwMBBkBoAAAAAwMBBkAoAAAAAwQG QGgAAAADAwEGQGgAAAADAwEGACgAAAACBAcAKAAAAAIDBkAoAAAAAwQGQGgA AAADAwEGQGgAAAADAwEGQCgAAAADBAZAaAAAAAMDAQZAaAAAAAMDAREAIAAA AAELAAEAAQJoDAIDaAwDBGgMBAVoDAUGaAwEByAHCGgMCAloDAkKaAwKC2gM CwwADA0ADQ4ADg9oDA8QaAwQEWgMERJoDBITaAwRFCAUFSgDCBYgFhdoDBcY aAwYGWgMGRpoDBobaAwZHAAGAWgMCwdoDBMOaAwbFmgMQgQAAAAGAQYFBAMC BQkIBwsKBg8QERITDgYXGBkaGxYXBAAAAAAAAAAW </structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T05:36:09Z</structure-indexed-at> </compound>