<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">312760</id>
  <title nil="true"/>
  <common-name>2-[(4-ethyl-5-pyrazin-2-yl-1,2,4-triazol-3-yl)sulfanyl]-n-(2-methoxy-5-methylphenyl)acetamide</common-name>
  <description>2-[(4-ethyl-5-pyrazin-2-yl-1,2,4-triazol-3-yl)sulfanyl]-n-(2-methoxy-5-methylphenyl)acetamide is a chemical compound with the formula C18H20N6O2S. It has an average molecular weight of 384.50 g/mol.</description>
  <cas nil="true"/>
  <pubchem-id>3852402</pubchem-id>
  <chemical-formula>C18H20N6O2S</chemical-formula>
  <weight>384.5</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">2026-08-29T09:27:12Z</created-at>
  <updated-at type="dateTime">2026-08-29T09:27:12Z</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=C(C=CC(=C2)C)OC)C3=NC=CN=C3</moldb-smiles>
  <moldb-formula>C18H20N6O2S</moldb-formula>
  <moldb-inchi>InChI=1S/C18H20N6O2S/c1-4-24-17(14-10-19-7-8-20-14)22-23-18(24)27-11-16(25)21-13-9-12(2)5-6-15(13)26-3/h5-10H,4,11H2,1-3H3,(H,21,25)</moldb-inchi>
  <moldb-inchikey>KFTDBWWRMJUVHK-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">384.1368451</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>1.4</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>CHEM308653</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-pyrazin-2-yl-1,2,4-triazol-3-yl)sulfanyl]-n-(2-methoxy-5-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>CED0263687</sync-id>
  <structure-inchikey>KFTDBWWRMJUVHK-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>204000000000800200000800000000000000000000000000001000400000000002000000000004000000002080000000000000000000000000000000000000000000000000000000000000000020000000000100000004000010000000000000210000000040200000100000000000000100000000000800000104000000000060010000000000000410000080080000008000000080000000000000000000000000000000000000080000000000000000490000000000002800000180000000000020001000000000000000000000000000002000000200010000000000008100000004002040000000000400000008010020004000000000020000</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">2026-09-19T05:19:39Z</structure-indexed-at>
</compound>
