316680 <common-name>4-[[2-[(4-prop-2-enyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzamide</common-name> <description>4-[[2-[(4-prop-2-enyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzamide is a chemical compound with the formula C19H18N6O2S. It has an average molecular weight of 394.50 g/mol.</description> <cas>618880-17-4</cas> <pubchem-id>2001440</pubchem-id> <chemical-formula>C19H18N6O2S</chemical-formula> <weight>394.5</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">2026-08-29T14:29:19Z</created-at> <updated-at type="dateTime">2026-08-29T14:29:19Z</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)NC2=CC=C(C=C2)C(=O)N)C3=CC=CC=N3</moldb-smiles> <moldb-formula>C19H18N6O2S</moldb-formula> <moldb-inchi>InChI=1S/C19H18N6O2S/c1-2-11-25-18(15-5-3-4-10-21-15)23-24-19(25)28-12-16(26)22-14-8-6-13(7-9-14)17(20)27/h2-10H,1,11-12H2,(H2,20,27)(H,22,26)</moldb-inchi> <moldb-inchikey>MEJSYILTANPNPI-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">394.121195</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>1.4</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>CHEM312573</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>4-[[2-[(4-prop-2-enyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzamide</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>Benzoic acids and derivatives</subklass> <paper-count type="integer" nil="true"/> <sync-id>CED0267514</sync-id> <structure-inchikey>MEJSYILTANPNPI-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>4000000000800000000800000800000000000100000000000000000000000000004400000004000000002080000000000080008000000000000000000000000000000000000000000000000020000000000200000000000010000000000000210000000010000000000000040000000108000000000800000000000000000000000400800000000014000090081000000100000000000000000000000000000000000000000200084000000000000000490000000000012800000000000000000000000000000000040002000000004000002100000200000000000000008800000014002040000000000400000000010000004000000000000000</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle>ï¾­Þ������������������������€���h��������h��������`������@(������@(������@(������@(������@(������� ������`�������(�������(�������h�������@(������@h�������@h�������@(������@h�������@h��������(�������(�������h�������@(������@h�������@h�������@h�������@h�������@(������������������h���h���h���h����� � � �(� � � �h���h���h���h���h��� ��(��� �� ��h���h���h���h���h���h�� h���h�B���������������� �����������������</structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T05:22:42Z</structure-indexed-at> </compound>