<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">297481</id>
  <title nil="true"/>
  <common-name>2-[(4-amino-5-pentyl-1,2,4-triazol-3-yl)sulfanyl]-n-(4-chlorophenyl)acetamide</common-name>
  <description>2-[(4-amino-5-pentyl-1,2,4-triazol-3-yl)sulfanyl]-n-(4-chlorophenyl)acetamide belongs to the anilides, a subclass of benzene and substituted derivatives within the organic compounds. This benzenoid compound has the formula C15H20ClN5OS and an average molecular weight of 353.90 g/mol.</description>
  <cas>540499-20-5</cas>
  <pubchem-id>3346325</pubchem-id>
  <chemical-formula>C15H20ClN5OS</chemical-formula>
  <weight>353.9</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">2026-08-28T13:42:34Z</created-at>
  <updated-at type="dateTime">2026-08-28T13:42:34Z</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>CCCCCC1=NN=C(N1N)SCC(=O)NC2=CC=C(C=C2)Cl</moldb-smiles>
  <moldb-formula>C15H20ClN5OS</moldb-formula>
  <moldb-inchi>InChI=1S/C15H20ClN5OS/c1-2-3-4-5-13-19-20-15(21(13)17)23-10-14(22)18-12-8-6-11(16)7-9-12/h6-9H,2-5,10,17H2,1H3,(H,18,22)</moldb-inchi>
  <moldb-inchikey>QREDZGNCDSFZAX-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">353.1077091</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>3.8</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>CHEM293374</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-amino-5-pentyl-1,2,4-triazol-3-yl)sulfanyl]-n-(4-chlorophenyl)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>CED0248863</sync-id>
  <structure-inchikey>QREDZGNCDSFZAX-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>4000000000800000000800000000000000000100000080000000004000000002000002000004000000002080000000000000000000000000000002000000000000400000010000000000000020000000000000000000000010000000000020010080000010000000000000040000000100000000000000000004000008000040020400040000004000000080081000800000000000001000000000000000000000100000000000080000000000000008410000000000002000000000000000000000000000000000000000000010000000000000000200000000000000008000000000000040000000010400000000010000000000000000000000</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�B���������	�����������������</structure-pickle>
  <structure-indexed-at type="dateTime">2026-09-19T05:08:22Z</structure-indexed-at>
</compound>
