<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">318282</id>
  <title nil="true"/>
  <common-name>2-[[4-ethyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]-n-(4-propan-2-ylphenyl)acetamide</common-name>
  <description>2-[[4-ethyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]-n-(4-propan-2-ylphenyl)acetamide is a chemical compound with the formula C19H22N4O2S. It has an average molecular weight of 370.50 g/mol.</description>
  <cas>618413-87-9</cas>
  <pubchem-id>1865636</pubchem-id>
  <chemical-formula>C19H22N4O2S</chemical-formula>
  <weight>370.5</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">2026-08-29T16:32:27Z</created-at>
  <updated-at type="dateTime">2026-08-29T16:32:27Z</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)C(C)C)C3=CC=CO3</moldb-smiles>
  <moldb-formula>C19H22N4O2S</moldb-formula>
  <moldb-inchi>InChI=1S/C19H22N4O2S/c1-4-23-18(16-6-5-11-25-16)21-22-19(23)26-12-17(24)20-15-9-7-14(8-10-15)13(2)3/h5-11,13H,4,12H2,1-3H3,(H,20,24)</moldb-inchi>
  <moldb-inchikey>VJNLXTCLAHACSB-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">370.1463471</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>3.4</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>CHEM314175</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-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]-n-(4-propan-2-ylphenyl)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>CED0269087</sync-id>
  <structure-inchikey>VJNLXTCLAHACSB-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>4000000020400000000080000000084000000000000000010000000000000000000000100200100000000400000000208020000000000000000000200000000000000000000040000000020000000000002080000000000000000000001000000000100021000000001020000000000004000000010000000000000000010000000000004000040080000000000000008008000000000000000040000000000000000000000000000000040008000000000000000041000000000000280000000000000000000000000000000000000000000000000000200000020000004000000c008000000004000040000000000402000000010000000000000000000000</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">2026-09-19T05:23:51Z</structure-indexed-at>
</compound>
