<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">305399</id>
  <title nil="true"/>
  <common-name>3-(2,4-dichlorophenyl)-5-[(e)-3-phenylprop-2-enyl]sulfanyl-1,2,4-triazol-4-amine</common-name>
  <description>3-(2,4-dichlorophenyl)-5-[(e)-3-phenylprop-2-enyl]sulfanyl-1,2,4-triazol-4-amine belongs to the triazoles, a subclass of azoles within the organic compounds. This organoheterocyclic compound has the formula C17H14Cl2N4S and an average molecular weight of 377.30 g/mol.</description>
  <cas>675131-44-9</cas>
  <pubchem-id>2033867</pubchem-id>
  <chemical-formula>C17H14Cl2N4S</chemical-formula>
  <weight>377.3</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">2026-08-28T22:58:00Z</created-at>
  <updated-at type="dateTime">2026-08-28T22:58:00Z</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>C1=CC=C(C=C1)C=CCSC2=NN=C(N2N)C3=C(C=C(C=C3)Cl)Cl</moldb-smiles>
  <moldb-formula>C17H14Cl2N4S</moldb-formula>
  <moldb-inchi>InChI=1S/C17H14Cl2N4S/c18-13-8-9-14(15(19)11-13)16-21-22-17(23(16)20)24-10-4-7-12-5-2-1-3-6-12/h1-9,11H,10,20H2/b7-4+</moldb-inchi>
  <moldb-inchikey>AWDVUPRBJALKDR-QPJJXVBHSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">376.031623</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>5.1</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>CHEM301292</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>3-(2,4-dichlorophenyl)-5-[(e)-3-phenylprop-2-enyl]sulfanyl-1,2,4-triazol-4-amine</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>CED0256501</sync-id>
  <structure-inchikey>AWDVUPRBJALKDR-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>800000000800000000000400000000080080000000004000000000000000000004008002002004400000000000000000000000000000000000000000400000000000000000000000000000800200000000000010000004000000000080001000000000120000000000000100000000000000000000000008000000000000c00000000000000000081000000100400000000000000000000000000000100000480000080000000000000000480000000000000800000000000000000080000000000080000000000010000000002000000200000000000001000000000000000040000000000000000000000040000000000000004000</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��� ��(�����	�	
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  <structure-indexed-at type="dateTime">2026-09-19T05:14:09Z</structure-indexed-at>
</compound>
