311251 <common-name>N-(2-bromo-4-methylphenyl)-2-[(4-prop-2-enyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide</common-name> <description>N-(2-bromo-4-methylphenyl)-2-[(4-prop-2-enyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide is a chemical compound with the formula C18H17BrN4OS2. It has an average molecular weight of 449.40 g/mol.</description> <cas>587013-88-5</cas> <pubchem-id>1997465</pubchem-id> <chemical-formula>C18H17BrN4OS2</chemical-formula> <weight>449.4</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">2026-08-29T07:23:30Z</created-at> <updated-at type="dateTime">2026-08-29T07:23:30Z</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)NC(=O)CSC2=NN=C(N2CC=C)C3=CC=CS3)Br</moldb-smiles> <moldb-formula>C18H17BrN4OS2</moldb-formula> <moldb-inchi>InChI=1S/C18H17BrN4OS2/c1-3-8-23-17(15-5-4-9-25-15)21-22-18(23)26-11-16(24)20-14-7-6-12(2)10-13(14)19/h3-7,9-10H,1,8,11H2,2H3,(H,20,24)</moldb-inchi> <moldb-inchikey>VDDVRYQRTMOOFM-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">448.00272</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>4.4</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>CHEM307144</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>N-(2-bromo-4-methylphenyl)-2-[(4-prop-2-enyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]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>Benzenoids</superklass> <klass>Benzene and substituted derivatives</klass> <subklass>Anilides</subklass> <paper-count type="integer" nil="true"/> <sync-id>CED0262210</sync-id> <structure-inchikey>VDDVRYQRTMOOFM-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>20000004000020000800000000800000000000000000000000000001040000000000000000000000004080000002180000000000000000000000000000000000000000000000000000000000000000020000010000200000000800010000002000000210000004000000000100000000000000108000000000000000004000000000040000000800000000004000080080000000000000080000000000000000000000000000200000200080000000000000000410000000000012800000000000001002000000000000100040002000000000000002000000200000000000000008900000004800040020001000400000008010000000000000000000000</structure-fingerprint> 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