<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">344507</id>
  <title nil="true"/>
  <common-name>2-[[4-(2,4-dimethylphenyl)-5-(phenoxymethyl)-1,2,4-triazol-3-yl]sulfanyl]-n-(4-methylphenyl)acetamide</common-name>
  <description nil="true"/>
  <cas nil="true"/>
  <pubchem-id>3850103</pubchem-id>
  <chemical-formula>C26H26N4O2S</chemical-formula>
  <weight>458.6</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">2026-08-31T06:28:46Z</created-at>
  <updated-at type="dateTime">2026-08-31T06:28:46Z</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)NC(=O)CSC2=NN=C(N2C3=C(C=C(C=C3)C)C)COC4=CC=CC=C4</moldb-smiles>
  <moldb-formula>C26H26N4O2S</moldb-formula>
  <moldb-inchi>InChI=1S/C26H26N4O2S/c1-18-9-12-21(13-10-18)27-25(31)17-33-26-29-28-24(16-32-22-7-5-4-6-8-22)30(26)23-14-11-19(2)15-20(23)3/h4-15H,16-17H2,1-3H3,(H,27,31)</moldb-inchi>
  <moldb-inchikey>DIUCYXVTOYEUMJ-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">458.1776473</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>5.4</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>CHEM340400</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-(2,4-dimethylphenyl)-5-(phenoxymethyl)-1,2,4-triazol-3-yl]sulfanyl]-n-(4-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>Organoheterocyclic compounds</superklass>
  <klass>Azoles</klass>
  <subklass>Triazoles</subklass>
  <paper-count type="integer" nil="true"/>
  <sync-id>CED0294876</sync-id>
  <structure-inchikey>DIUCYXVTOYEUMJ-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>4000000000800002000800000000000000000100080000001000000000000000000002200004000000002084000000000000000000000000000000000000000000200000000000000000000022000000000104000000000050000000000000010000000010000000100000040000000100000000000000000004000000000040000400800000404002000080080000000100000000000000000000000100000000000000000000080100000000000000490000000000002400000000000000000000000001000000000000000000010000002000000200000000000000008100000000000040000000001480000000010000000040000000000000</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��� �� �	(��
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������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">2026-09-19T05:43:49Z</structure-indexed-at>
</compound>
