322395 <common-name>4-[(e)-(4-tert-butylphenyl)methylideneamino]-3-(3-methylphenyl)-1h-1,2,4-triazole-5-thione</common-name> <description>4-[(e)-(4-tert-butylphenyl)methylideneamino]-3-(3-methylphenyl)-1h-1,2,4-triazole-5-thione is a chemical compound with the formula C20H22N4S. It has an average molecular weight of 350.50 g/mol.</description> <cas>478255-76-4</cas> <pubchem-id>6880006</pubchem-id> <chemical-formula>C20H22N4S</chemical-formula> <weight>350.5</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">2026-08-29T22:27:12Z</created-at> <updated-at type="dateTime">2026-08-29T22:27:12Z</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(=CC=C1)C2=NNC(=S)N2N=CC3=CC=C(C=C3)C(C)(C)C</moldb-smiles> <moldb-formula>C20H22N4S</moldb-formula> <moldb-inchi>InChI=1S/C20H22N4S/c1-14-6-5-7-16(12-14)18-22-23-19(25)24(18)21-13-15-8-10-17(11-9-15)20(2,3)4/h5-13H,1-4H3,(H,23,25)/b21-13+</moldb-inchi> <moldb-inchikey>GAYLXMXTUSFTES-FYJGNVAPSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">350.1565179</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>5.3</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>CHEM318288</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-[(e)-(4-tert-butylphenyl)methylideneamino]-3-(3-methylphenyl)-1h-1,2,4-triazole-5-thione</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>CED0273102</sync-id> <structure-inchikey>GAYLXMXTUSFTES-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>40400000000020000040002000000000000000000000000200000800000002000000000000008000200000002000800000000000000000000000000000000000008000000000000000000000000000000000000200000004008000000000000000100000010000000080100000000000000100000000000000000004000001000140000000800000200000000000800000000000000000000000000000000000000000001000400000080000000040000000000000000000000000000000000800000000000000000000000000400000000000042000000200000000000062000100000000000040000000000000000000000000000000080000004000</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle type="binary" encoding="base64">776t3gAAAAAQAAAAAwAAAAAAAAAZAAAAGwAAAIABBgBgAAAAAQMGQCgAAAAD BAZAaAAAAAMDAQZAKAAAAAMEBkBoAAAAAwMBBkBoAAAAAwMBBkBoAAAAAwMB BkAoAAAAAwQHQCgAAAADAwdAOAAAAAMBAwZAKAAAAAMEEAAoAAAAAwIHQCgA AAADAwcAKAAAAAMDBgBoAAAAAwMBBkAoAAAAAwQGQGgAAAADAwEGQGgAAAAD AwEGQCgAAAADBAZAaAAAAAMDAQZAaAAAAAMDAQYAIAAAAAQGAGAAAAABAwYA YAAAAAEDBgBgAAAAAQMLAAEAAQJoDAIDaAwDBGgMBAVoDAUGaAwDByAHCGgM CAloDAkKaAwKCygCCgxoDAwNIA0OKAIODyAPEGgMEBFoDBESaAwSE2gMExRo DBIVABUWABUXABUYAAYBaAwMB2gMFA9oDEIDAAAABgEGBQQDAgUIBwwKCQYQ ERITFA8XBAAAAAAAAAAW </structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T05:26:55Z</structure-indexed-at> </compound>