310776 <common-name>1-(4-fluorophenyl)-2-[(4-prop-2-enyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]ethanone</common-name> <description>1-(4-fluorophenyl)-2-[(4-prop-2-enyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]ethanone is a chemical compound with the formula C18H15FN4OS. It has an average molecular weight of 354.40 g/mol.</description> <cas>618880-07-2</cas> <pubchem-id>3727669</pubchem-id> <chemical-formula>C18H15FN4OS</chemical-formula> <weight>354.4</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">2026-08-29T06:25:51Z</created-at> <updated-at type="dateTime">2026-08-29T06:25:51Z</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>C=CCN1C(=NN=C1SCC(=O)C2=CC=C(C=C2)F)C3=CC=CC=N3</moldb-smiles> <moldb-formula>C18H15FN4OS</moldb-formula> <moldb-inchi>InChI=1S/C18H15FN4OS/c1-2-11-23-17(15-5-3-4-10-20-15)21-22-18(23)25-12-16(24)13-6-8-14(19)9-7-13/h2-10H,1,11-12H2</moldb-inchi> <moldb-inchikey>CIZLISYVEOAIPR-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">354.0950605</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>3.2</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>CHEM306669</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>1-(4-fluorophenyl)-2-[(4-prop-2-enyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]ethanone</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>Organic oxygen compounds</superklass> <klass>Organooxygen compounds</klass> <subklass>Carbonyl compounds</subklass> <paper-count type="integer" nil="true"/> <sync-id>CED0261744</sync-id> <structure-inchikey>CIZLISYVEOAIPR-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>802000000800000000000000000000000000000000000000000000004000000004000000002080000000000000008000000000000000000000000000000000000000000000000020000000000210000000000010000000000000210000000000000400000002000000000108000000000800000000000000000000000000800000000014000010080000000100000000000000000000000000000000000000000200084000002000000000480000000000010800000000000000000000000000200000040002020000044000002000000200000000000000000800000014002040000000000400800000010000004000000000000000</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle type="binary" encoding="base64">776t3gAAAAAQAAAAAwAAAAAAAAAZAAAAGwAAAIABBgBoAAAAAwICBgBoAAAA AwMBBgBgAAAAAgIHQCgAAAADAwZAKAAAAAMEB0AoAAAAAwMHQCgAAAADAwZA KAAAAAMEEAAgAAAAAgYAYAAAAAICBgAoAAAAAwQIACgAAAADAgZAKAAAAAME BkBoAAAAAwMBBkBoAAAAAwMBBkAoAAAAAwQGQGgAAAADAwEGQGgAAAADAwEJ ACAAAAABBkAoAAAAAwQGQGgAAAADAwEGQGgAAAADAwEGQGgAAAADAwEGQGgA AAADAwEHQCgAAAADAwsAAQgCAQIAAgMAAwRoDAQFaAwFBmgMBgdoDAcIAAgJ AAkKAAoLKAIKDCAMDWgMDQ5oDA4PaAwPEGgMEBFoDA8SAAQTIBMUaAwUFWgM FRZoDBYXaAwXGGgMBwNoDBEMaAwYE2gMQgMAAAAFAwQFBgcGDQ4PEBEMBhQV FhcYExcEAAAAAAAAABY= </structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T05:18:05Z</structure-indexed-at> </compound>