305084 <common-name>2-[(4-ethyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]-1-(2,3,4-trichlorophenyl)ethanone</common-name> <description>2-[(4-ethyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]-1-(2,3,4-trichlorophenyl)ethanone belongs to the carbonyl compounds, a subclass of organooxygen compounds within the organic compounds. It has the chemical formula C17H13Cl3N4OS and an average molecular weight of 427.70 g/mol. This substance is further classified as an organic oxygen compound and an organooxygen compound.</description> <cas>618414-95-2</cas> <pubchem-id>5165134</pubchem-id> <chemical-formula>C17H13Cl3N4OS</chemical-formula> <weight>427.7</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">2026-08-28T22:37:48Z</created-at> <updated-at type="dateTime">2026-08-28T22:37:48Z</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>CCN1C(=NN=C1SCC(=O)C2=C(C(=C(C=C2)Cl)Cl)Cl)C3=CC=CC=N3</moldb-smiles> <moldb-formula>C17H13Cl3N4OS</moldb-formula> <moldb-inchi>InChI=1S/C17H13Cl3N4OS/c1-2-24-16(12-5-3-4-8-21-12)22-23-17(24)26-9-13(25)10-6-7-11(18)15(20)14(10)19/h3-8H,2,9H2,1H3</moldb-inchi> <moldb-inchikey>HGIRVWYRGNMGMM-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">425.987565</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>4.5</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>CHEM300977</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-[(4-ethyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]-1-(2,3,4-trichlorophenyl)ethanone</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>Organic oxygen compounds</superklass> <klass>Organooxygen compounds</klass> <subklass>Carbonyl compounds</subklass> <paper-count type="integer" nil="true"/> <sync-id>CED0256199</sync-id> <structure-inchikey>HGIRVWYRGNMGMM-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>200000001000801040000800000000000000000000000000000000000000000002004000000004000002002080000000000000008000000080000000000000000000400000000000000000000020002000000000000000000010000000000000210000000000200000000002000000000100000000000800000110000000000040000000800000000010000010080000000100000000000001000400000000000000000000000000080000000000000000480000000000000800000000000000000000000000000000000000000010040000002000000200000000000000000000000014002040000000000400000000010000004100000000000000</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�B������������ ���������������������</structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T05:13:56Z</structure-indexed-at> </compound>