312680 <common-name>3-(3,4-dimethoxyphenyl)-5-[(2-methylphenyl)methylsulfanyl]-1,2,4-triazol-4-amine</common-name> <description>3-(3,4-dimethoxyphenyl)-5-[(2-methylphenyl)methylsulfanyl]-1,2,4-triazol-4-amine is a chemical compound with the formula C18H20N4O2S. It has an average molecular weight of 356.40 g/mol.</description> <cas>578734-96-0</cas> <pubchem-id>1993572</pubchem-id> <chemical-formula>C18H20N4O2S</chemical-formula> <weight>356.4</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">2026-08-29T09:18:35Z</created-at> <updated-at type="dateTime">2026-08-29T09:18:35Z</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=C1CSC2=NN=C(N2N)C3=CC(=C(C=C3)OC)OC</moldb-smiles> <moldb-formula>C18H20N4O2S</moldb-formula> <moldb-inchi>InChI=1S/C18H20N4O2S/c1-12-6-4-5-7-14(12)11-25-18-21-20-17(22(18)19)13-8-9-15(23-2)16(10-13)24-3/h4-10H,11,19H2,1-3H3</moldb-inchi> <moldb-inchikey>NJSDDHHBVRWXED-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">356.1306971</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>3.5</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>CHEM308573</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>3-(3,4-dimethoxyphenyl)-5-[(2-methylphenyl)methylsulfanyl]-1,2,4-triazol-4-amine</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>CED0263608</sync-id> <structure-inchikey>NJSDDHHBVRWXED-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>800200000800000800000000000000000000004000404000000000000000000004000000002000000000000000000000000000000000040000000000000000000000000000000000000000000100000000000010002000000000000000000044000000100000800000000100000000000002000000000008000140000000800000000000000000881000000100000000000400000000100000000000100004000000080100000000000000400000000000000800000080000000000000040000000000000000000000000000002000000200000000000000000000000000000040000000000000000000000060000001000000800000</structure-fingerprint> <structure-pattern-fingerprint>501002108932834081000b400128a1400000140001052000003520408200080c44020018108000000100410800c00080046000a4408c32190020643000a04000d6110c0012900600029010000072028018040580d3211b3240040462400141000c2005270048820060001400c5140201200688710101c08c1188086002510002104001084ef082080c0622400aac0008191c0812440014820000082000416084404310009090c00002000864017c25100ac20000894308401800421008c00270804000a42490103201800400141112800c010000020050a00d12020c0800030014104010088100000002001354922080001000308042000e0000100050100002</structure-pattern-fingerprint> <structure-pickle type="binary" encoding="base64">776t3gAAAAAQAAAAAwAAAAAAAAAZAAAAGwAAAIABBgBgAAAAAQMGQCgAAAAD BAZAaAAAAAMDAQZAaAAAAAMDAQZAaAAAAAMDAQZAaAAAAAMDAQZAKAAAAAME BgBgAAAAAgIQACAAAAACBkAoAAAAAwQHQCgAAAADAwdAKAAAAAMDBkAoAAAA AwQHQCgAAAADAwcAaAAAAAMBAgZAKAAAAAMEBkBoAAAAAwMBBkAoAAAAAwQG QCgAAAADBAZAaAAAAAMDAQZAaAAAAAMDAQgAKAAAAAMCBgBgAAAAAQMIACgA AAADAgYAYAAAAAEDCwABAAECaAwCA2gMAwRoDAQFaAwFBmgMBgcABwgACAkA CQpoDAoLaAwLDGgMDA1oDA0OIAwPIA8QaAwQEWgMERJoDBITaAwTFGgMEhUg FRYAERcgFxgABgFoDA0JaAwUD2gMQgMAAAAGAQYFBAMCBQoJDQwLBhAREhMU DxcEAAAAAAAAABY= </structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T05:19:36Z</structure-indexed-at> </compound>