<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">335313</id>
  <title nil="true"/>
  <common-name>2-[[4-ethyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]-n-(4-phenylmethoxyphenyl)acetamide</common-name>
  <description>2-[[4-ethyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]-n-(4-phenylmethoxyphenyl)acetamide is a chemical compound with the formula C23H22N4O3S. It has an average molecular weight of 434.50 g/mol.</description>
  <cas>618412-66-1</cas>
  <pubchem-id>662233</pubchem-id>
  <chemical-formula>C23H22N4O3S</chemical-formula>
  <weight>434.5</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">2026-08-30T17:26:08Z</created-at>
  <updated-at type="dateTime">2026-08-30T17:26:08Z</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)OCC3=CC=CC=C3)C4=CC=CO4</moldb-smiles>
  <moldb-formula>C23H22N4O3S</moldb-formula>
  <moldb-inchi>InChI=1S/C23H22N4O3S/c1-2-27-22(20-9-6-14-29-20)25-26-23(27)31-16-21(28)24-18-10-12-19(13-11-18)30-15-17-7-4-3-5-8-17/h3-14H,2,15-16H2,1H3,(H,24,28)</moldb-inchi>
  <moldb-inchikey>JOVICWMEELTUTD-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">434.1412618</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>3.7</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>CHEM331206</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-phenylmethoxyphenyl)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>CED0285787</sync-id>
  <structure-inchikey>JOVICWMEELTUTD-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>204000000000800002100840000000000000000100000000000000000000000002001000200004000000002084200000000000000000002000000000000000000000000000000000000000000022800000000100000200000050000000001000210000000010200000000000040000000100000000000000000100000000000040200400800000000000000080080000000100000000400000000000000000000000000000000000080000000000000000490000000000002800000000000000000000000000000000000000000000000000002000000220000040000004008000000004000040000000000402000000010000000000000000000020</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���h���h���h��� ��h���h���h���h���h���h���h���h�B���������������������������������������</structure-pickle>
  <structure-indexed-at type="dateTime">2026-09-19T05:37:01Z</structure-indexed-at>
</compound>
