305407 <common-name>N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[(4-ethyl-5-pyrazin-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide</common-name> <description>N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[(4-ethyl-5-pyrazin-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide belongs to the trifluoromethylbenzenes, a subclass of benzene and substituted derivatives within the organic compounds. This benzenoid has the chemical formula C17H14ClF3N6OS and an average molecular weight of 442.80 g/mol.</description> <cas>618427-30-8</cas> <pubchem-id>1968733</pubchem-id> <chemical-formula>C17H14ClF3N6OS</chemical-formula> <weight>442.8</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">2026-08-28T22:58:37Z</created-at> <updated-at type="dateTime">2026-08-28T22:58:37Z</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)NC2=CC(=C(C=C2)Cl)C(F)(F)F)C3=NC=CN=C3</moldb-smiles> <moldb-formula>C17H14ClF3N6OS</moldb-formula> <moldb-inchi>InChI=1S/C17H14ClF3N6OS/c1-2-27-15(13-8-22-5-6-23-13)25-26-16(27)29-9-14(28)24-10-3-4-12(18)11(7-10)17(19,20)21/h3-8H,2,9H2,1H3,(H,24,28)</moldb-inchi> <moldb-inchikey>GLUAXBGQPUZKIJ-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">442.0590424</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>CHEM301300</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-[4-chloro-3-(trifluoromethyl)phenyl]-2-[(4-ethyl-5-pyrazin-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>Benzenoids</superklass> <klass>Benzene and substituted derivatives</klass> <subklass>Trifluoromethylbenzenes</subklass> <paper-count type="integer" nil="true"/> <sync-id>CED0256509</sync-id> <structure-inchikey>GLUAXBGQPUZKIJ-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>2040000000008000000028000000000000000081000000000000000002000000020000000000040000020020800000001000000000000000000000000000000000004000000000000000000004200020000000000000000000100000000000002140000000102000001000000400000001000000000008000001000000400000400100000000000004100000800800000080000000000000000000000000000000000000000000000800000000000000004d0000000000002800000100000000000020001000000000000000000010000000002000000200010000000000008000000004002040000000000400800000010000004000000000000010</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�B����������� ����������������������</structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T05:14:09Z</structure-indexed-at> </compound>