321978 <common-name>N-(2,4-dimethoxyphenyl)-2-[(4-prop-2-enyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide</common-name> <description nil="true"/> <cas nil="true"/> <pubchem-id>1892756</pubchem-id> <chemical-formula>C20H21N5O3S</chemical-formula> <weight>411.5</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">2026-08-29T21:46:10Z</created-at> <updated-at type="dateTime">2026-08-29T21:46:10Z</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(=C(C=C1)NC(=O)CSC2=NN=C(N2CC=C)C3=CC=CC=N3)OC</moldb-smiles> <moldb-formula>C20H21N5O3S</moldb-formula> <moldb-inchi>InChI=1S/C20H21N5O3S/c1-4-11-25-19(16-7-5-6-10-21-16)23-24-20(25)29-13-18(26)22-15-9-8-14(27-2)12-17(15)28-3/h4-10,12H,1,11,13H2,2-3H3,(H,22,26)</moldb-inchi> <moldb-inchikey>QIGFZMZNRLEUDZ-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">411.1365107</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>2.5</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>CHEM317871</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-(2,4-dimethoxyphenyl)-2-[(4-prop-2-enyl-5-pyridin-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>Organoheterocyclic compounds</superklass> <klass>Pyridines and derivatives</klass> <subklass>Pyridyltriazoles</subklass> <paper-count type="integer" nil="true"/> <sync-id>CED0272689</sync-id> <structure-inchikey>QIGFZMZNRLEUDZ-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>4000000000800000000800000000000000000000000000000000400000000000004000200004000000002080000000000000008000000000000000000000000000000000000000000000100020000000000300000208000010000000040000210000000040000000100000000000000108000000000800000000100000000040000000800000000014000090080000000100000080000000000000000000000000000000000200080000000000000000490000000000012800000080000000000000000000000000040002000000000000002000000200000000000000008800000014802040000000000400000008010028004000000000000000</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�B������������� ��������������������</structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T05:26:39Z</structure-indexed-at> </compound>