316891 <common-name>Methyl 2-[[5-(4-methoxyphenyl)-4-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetate</common-name> <description>Methyl 2-[[5-(4-methoxyphenyl)-4-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetate is a chemical compound with the formula C19H19N3O3S. It has an average molecular weight of 369.40 g/mol.</description> <cas>763111-40-6</cas> <pubchem-id>2529694</pubchem-id> <chemical-formula>C19H19N3O3S</chemical-formula> <weight>369.4</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">2026-08-29T14:45:48Z</created-at> <updated-at type="dateTime">2026-08-29T14:45:48Z</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=C2SCC(=O)OC)C3=CC=C(C=C3)OC</moldb-smiles> <moldb-formula>C19H19N3O3S</moldb-formula> <moldb-inchi>InChI=1S/C19H19N3O3S/c1-13-4-8-15(9-5-13)22-18(14-6-10-16(24-2)11-7-14)20-21-19(22)26-12-17(23)25-3/h4-11H,12H2,1-3H3</moldb-inchi> <moldb-inchikey>AFMSUMCEJWZMSC-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">369.1147127</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>3.8</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>CHEM312784</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>Methyl 2-[[5-(4-methoxyphenyl)-4-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetate</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>CED0267722</sync-id> <structure-inchikey>AFMSUMCEJWZMSC-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>200000800000000800000000000000000010000000005000000000000000000000200004008000002080000000000000000000000000200000000000011000000000000000000000000020000000000100000200000010000000040000010000010040000000000000800000000100000000000000000000000000000040000000000000000000000080880000010000000000000000000000000000000000000000000000082000000000000000400000000000000c00000080000000000000000000000000000000000000000000002000000200000000000000000140000000000040000000000480000000010000000040000000000000</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle type="binary" encoding="base64">776t3gAAAAAQAAAAAwAAAAAAAAAaAAAAHAAAAIABBgBgAAAAAQMGQCgAAAAD BAZAaAAAAAMDAQZAaAAAAAMDAQZAKAAAAAMEBkBoAAAAAwMBBkBoAAAAAwMB B0AoAAAAAwMGQCgAAAADBAdAKAAAAAMDB0AoAAAAAwMGQCgAAAADBBAAIAAA AAIGAGAAAAACAgYAKAAAAAMECAAoAAAAAwIIACgAAAADAgYAYAAAAAEDBkAo AAAAAwQGQGgAAAADAwEGQGgAAAADAwEGQCgAAAADBAZAaAAAAAMDAQZAaAAA AAMDAQgAKAAAAAMCBgBgAAAAAQMLAAEAAQJoDAIDaAwDBGgMBAVoDAUGaAwE ByAHCGgMCAloDAkKaAwKC2gMCwwADA0ADQ4ADg8oAg4QIBARAAgSIBITaAwT FGgMFBVoDBUWaAwWF2gMFRggGBkABgFoDAsHaAwXEmgMQgMAAAAGAQYFBAMC BQkIBwsKBhMUFRYXEhcEAAAAAAAAABY= </structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T05:22:52Z</structure-indexed-at> </compound>