<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">341683</id>
  <title nil="true"/>
  <common-name>2-[[5-(4-chlorophenyl)-4-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-n-(2,5-dimethylphenyl)acetamide</common-name>
  <description>2-[[5-(4-chlorophenyl)-4-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-n-(2,5-dimethylphenyl)acetamide is a chemical compound with the formula C25H23ClN4OS. It has an average molecular weight of 463.00 g/mol.</description>
  <cas>332947-79-2</cas>
  <pubchem-id>1890061</pubchem-id>
  <chemical-formula>C25H23ClN4OS</chemical-formula>
  <weight>463</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">2026-08-31T02:16:23Z</created-at>
  <updated-at type="dateTime">2026-08-31T02:16:23Z</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>CC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)NC3=C(C=CC(=C3)C)C)C4=CC=C(C=C4)Cl</moldb-smiles>
  <moldb-formula>C25H23ClN4OS</moldb-formula>
  <moldb-inchi>InChI=1S/C25H23ClN4OS/c1-16-5-12-21(13-6-16)30-24(19-8-10-20(26)11-9-19)28-29-25(30)32-15-23(31)27-22-14-17(2)4-7-18(22)3/h4-14H,15H2,1-3H3,(H,27,31)</moldb-inchi>
  <moldb-inchikey>VJVDPTPWUBWILM-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">462.1281102</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>6.2</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>CHEM337576</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-[[5-(4-chlorophenyl)-4-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-n-(2,5-dimethylphenyl)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>Organoheterocyclic compounds</superklass>
  <klass>Azoles</klass>
  <subklass>Triazoles</subklass>
  <paper-count type="integer" nil="true"/>
  <sync-id>CED0292079</sync-id>
  <structure-inchikey>VJVDPTPWUBWILM-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>4000200000800000000800000000000000000000000080005000000000000000000000000004008000002080000000000000000000000000200000000000000000400000000000000000000020200000000000000004000010000000000000010080000000000000100000800000000100000000000000000004000000000040020000000000000000000080880000010000000080000000000000000000000000000000000000080100000000000000410000000000002c00000000000000000000000000000040000000000010100000002000000200000000000000008140000000000040000000000480000008010000000040000000000000</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�	
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������������������������</structure-pickle>
  <structure-indexed-at type="dateTime">2026-09-19T05:41:33Z</structure-indexed-at>
</compound>
