326616 <common-name>2-[[5-[(3-chloroanilino)methyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-n-(3-methoxyphenyl)acetamide</common-name> <description>2-[[5-[(3-chloroanilino)methyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-n-(3-methoxyphenyl)acetamide is a chemical compound with the formula C21H22ClN5O2S. It has an average molecular weight of 444.00 g/mol.</description> <cas>538337-20-1</cas> <pubchem-id>3768791</pubchem-id> <chemical-formula>C21H22ClN5O2S</chemical-formula> <weight>444</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">2026-08-30T05:00:11Z</created-at> <updated-at type="dateTime">2026-08-30T05:00:11Z</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>COC1=CC=CC(=C1)NC(=O)CSC2=NN=C(N2CC=C)CNC3=CC(=CC=C3)Cl</moldb-smiles> <moldb-formula>C21H22ClN5O2S</moldb-formula> <moldb-inchi>InChI=1S/C21H22ClN5O2S/c1-3-10-27-19(13-23-16-7-4-6-15(22)11-16)25-26-21(27)30-14-20(28)24-17-8-5-9-18(12-17)29-2/h3-9,11-12,23H,1,10,13-14H2,2H3,(H,24,28)</moldb-inchi> <moldb-inchikey>NASCKUOCLUWHBO-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">443.1182738</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>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>CHEM322509</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-(3-methoxyphenyl)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>CED0277234</sync-id> <structure-inchikey>NASCKUOCLUWHBO-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>4000000000810000000800000000000400008100000080000000010000000000008002200004000000002080001000000000000000000000000000000000000000600000008000000000000020000000000301000000000010000000040000210000000040000000100000040000000108000000000000000000000001000040000000800000004084000080080000000004000000000000000000000000000000000000000200080000002080000000410000000000012000000080000000000000000000000000040000000010000000000000000200000000000000008800000004000040000000000400000000010008000000000000200000</structure-fingerprint> <structure-pattern-fingerprint>501000008d328640810019408128a1000000140085052000003520408200098c4402285c109000001000410800800080046002a4c08c32090024643000a04000d6110c000298061000901000007202800004058053211a3240000422400249000c39052f0048920060000400d5140201200280700101c18c7118286002710002104821180ef082080c0602504aac0008191c081244401c0210000820004060a4c04310101090c00000000960057c37100ac200008941084018200a1008c00270904012a424c0103205800404544512900c000000420050200d52020408000300101044100889024010020413d5122000005000308042040e0008008050100406</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>