346300 <common-name>2-[[5-(4-tert-butylphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-n-[(e)-(3-fluorophenyl)methylideneamino]acetamide</common-name> <description>2-[[5-(4-tert-butylphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-n-[(e)-(3-fluorophenyl)methylideneamino]acetamide is a chemical compound with the formula C27H26FN5OS. It has an average molecular weight of 487.60 g/mol.</description> <cas>303105-60-4</cas> <pubchem-id>9660629</pubchem-id> <chemical-formula>C27H26FN5OS</chemical-formula> <weight>487.6</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">2026-08-31T09:42:18Z</created-at> <updated-at type="dateTime">2026-08-31T09:42:18Z</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>CC(C)(C)C1=CC=C(C=C1)C2=NN=C(N2C3=CC=CC=C3)SCC(=O)NN=CC4=CC(=CC=C4)F</moldb-smiles> <moldb-formula>C27H26FN5OS</moldb-formula> <moldb-inchi>InChI=1S/C27H26FN5OS/c1-27(2,3)21-14-12-20(13-15-21)25-31-32-26(33(25)23-10-5-4-6-11-23)35-18-24(34)30-29-17-19-8-7-9-22(28)16-19/h4-17H,18H2,1-3H3,(H,30,34)/b29-17+</moldb-inchi> <moldb-inchikey>JDTIDMRDCGKFOD-STBIYBPSSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">487.1842098</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>6.3</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>CHEM342193</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>2-[[5-(4-tert-butylphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-n-[(e)-(3-fluorophenyl)methylideneamino]acetamide</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>CED0296653</sync-id> <structure-inchikey>JDTIDMRDCGKFOD-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>404000200000800000002800000000000000000000000000020000000000000000000402000004008000002084800000000000000000000000200000000000000000000000000000000000000020000000000210000004000010000000000000010000000000000080100000800000080104000000000000000000000001004040000000800000000000000090880000010100000000000000000000000000000000001000400000080000000040000000400000000100002c00000000000800004000000000000000000000420000000000002000000200000000000000000040000000001048000000000400800000010000000040000000004000</structure-fingerprint> 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