<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">347799</id>
  <title nil="true"/>
  <common-name>2-[[5-[(4-methylphenyl)sulfanylmethyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-n-naphthalen-1-ylacetamide</common-name>
  <description>2-[[5-[(4-methylphenyl)sulfanylmethyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-n-naphthalen-1-ylacetamide is a chemical compound with the formula C28H24N4OS2. It has an average molecular weight of 496.70 g/mol.</description>
  <cas>539809-08-0</cas>
  <pubchem-id>3804465</pubchem-id>
  <chemical-formula>C28H24N4OS2</chemical-formula>
  <weight>496.7</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">2026-08-31T11:37:02Z</created-at>
  <updated-at type="dateTime">2026-08-31T11:37:02Z</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)SCC2=NN=C(N2C3=CC=CC=C3)SCC(=O)NC4=CC=CC5=CC=CC=C54</moldb-smiles>
  <moldb-formula>C28H24N4OS2</moldb-formula>
  <moldb-inchi>InChI=1S/C28H24N4OS2/c1-20-14-16-23(17-15-20)34-18-26-30-31-28(32(26)22-10-3-2-4-11-22)35-19-27(33)29-25-13-7-9-21-8-5-6-12-24(21)25/h2-17H,18-19H2,1H3,(H,29,33)</moldb-inchi>
  <moldb-inchikey>GNLBQFBVPSMUHD-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">496.1391538</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>6.5</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>CHEM343692</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-methylphenyl)sulfanylmethyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-n-naphthalen-1-ylacetamide</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>CED0298137</sync-id>
  <structure-inchikey>GNLBQFBVPSMUHD-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>4000200000800000000800000000000000000000000000001000000000000000000002000004000000002084000000000000000000000000000000000000080000000000000000000000000020000000000000000000000010002000000000011000000000000000000000000000000100000000000800100000000001004040000001800080004000000080080000000100000090000001000000000000000000000010040000081000000000010000410000000000002400000000000000040000000000000000000000000000008000002000000200000000000000008140000001000040000000000480000008010000000040000000000000</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��������	�	
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	��������������"���� !"�����������</structure-pickle>
  <structure-indexed-at type="dateTime">2026-09-19T05:46:22Z</structure-indexed-at>
</compound>
