<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">307168</id>
  <title nil="true"/>
  <common-name>2-[[4-ethyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]-n-(4-methoxyphenyl)acetamide</common-name>
  <description>2-[[4-ethyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]-n-(4-methoxyphenyl)acetamide belongs to the anilides, a subclass of benzene and substituted derivatives within the organic compounds. This benzenoid compound has the chemical formula C17H18N4O3S and an average molecular weight of 358.40 g/mol.</description>
  <cas>626205-01-4</cas>
  <pubchem-id>3149095</pubchem-id>
  <chemical-formula>C17H18N4O3S</chemical-formula>
  <weight>358.4</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">2026-08-29T01:10:00Z</created-at>
  <updated-at type="dateTime">2026-08-29T01:10:00Z</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)OC)C3=CC=CO3</moldb-smiles>
  <moldb-formula>C17H18N4O3S</moldb-formula>
  <moldb-inchi>InChI=1S/C17H18N4O3S/c1-3-21-16(14-5-4-10-24-14)19-20-17(21)25-11-15(22)18-12-6-8-13(23-2)9-7-12/h4-10H,3,11H2,1-2H3,(H,18,22)</moldb-inchi>
  <moldb-inchikey>ZZCMYFZLYBAULJ-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">358.1099616</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>2.2</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>CHEM303061</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-methoxyphenyl)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>CED0258220</sync-id>
  <structure-inchikey>ZZCMYFZLYBAULJ-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>204000000000800000000840000000000000000100000000000000000000000002001000200004000000002080200000000000000000002000000000000000000000000000000000000000000020800000000100000200000010000000041000210000010050200000000000040000000100000000000000000100000000000040000400800000000000000080080000000000000000400000000000000000000000000000000000080000000000000000410000000000002800000080000000000000000000000000000000000000000000002000000200000040000004008000000004000040000000000402000000010000000000000000000000</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��������	�	
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  <structure-indexed-at type="dateTime">2026-09-19T05:15:26Z</structure-indexed-at>
</compound>
