326621 <common-name>2-[[5-[(3-chloroanilino)methyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-n-(4-methylphenyl)acetamide</common-name> <description>2-[[5-[(3-chloroanilino)methyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-n-(4-methylphenyl)acetamide is a compound with the chemical formula C21H22ClN5OS. It has an average molecular weight of 428.00 g/mol.</description> <cas>538337-34-7</cas> <pubchem-id>4463487</pubchem-id> <chemical-formula>C21H22ClN5OS</chemical-formula> <weight>428</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">2026-08-30T05:00:51Z</created-at> <updated-at type="dateTime">2026-08-30T05:00:51Z</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>CC1=CC=C(C=C1)NC(=O)CSC2=NN=C(N2CC=C)CNC3=CC(=CC=C3)Cl</moldb-smiles> <moldb-formula>C21H22ClN5OS</moldb-formula> <moldb-inchi>InChI=1S/C21H22ClN5OS/c1-3-11-27-19(13-23-18-6-4-5-16(22)12-18)25-26-21(27)29-14-20(28)24-17-9-7-15(2)8-10-17/h3-10,12,23H,1,11,13-14H2,2H3,(H,24,28)</moldb-inchi> <moldb-inchikey>OPAQEEAUCDROAB-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">427.1233592</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>CHEM322514</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-[(3-chloroanilino)methyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-n-(4-methylphenyl)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>CED0277239</sync-id> <structure-inchikey>OPAQEEAUCDROAB-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>4000000000810000000800000000000400000100000080001000010000000000008002000004000000002080001000000000000000000000000000000000000000400000008000000000000020000000000201000000000010000000000000210000000010000000100000040000000108000000000000000000000001000040000400800000004084000080080000000004000000000000000000000000000000000000000200080000000080000000410000000000012000000000000000000000000000000000040000000010000000002000000200000000000000008900000004000040000000000480000000010000000000000000200000</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">2026-09-19T05:30:13Z</structure-indexed-at> </compound>