<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">321350</id>
  <title nil="true"/>
  <common-name>N-[(e)-(4-chloro-3-nitrophenyl)methylideneamino]-2-[[4-ethyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide</common-name>
  <description>N-[(e)-(4-chloro-3-nitrophenyl)methylideneamino]-2-[[4-ethyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide is a chemical compound with the formula C20H19ClN6O4S. It has an average molecular weight of 474.90 g/mol.</description>
  <cas>303102-51-4</cas>
  <pubchem-id>6886487</pubchem-id>
  <chemical-formula>C20H19ClN6O4S</chemical-formula>
  <weight>474.9</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">2026-08-29T20:46:43Z</created-at>
  <updated-at type="dateTime">2026-08-29T20:46:43Z</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>CCN1C(=NN=C1SCC(=O)NN=CC2=CC(=C(C=C2)Cl)[N+](=O)[O-])C3=CC=C(C=C3)OC</moldb-smiles>
  <moldb-formula>C20H19ClN6O4S</moldb-formula>
  <moldb-inchi>InChI=1S/C20H19ClN6O4S/c1-3-26-19(14-5-7-15(31-2)8-6-14)24-25-20(26)32-12-18(28)23-22-11-13-4-9-16(21)17(10-13)27(29)30/h4-11H,3,12H2,1-2H3,(H,23,28)/b22-11+</moldb-inchi>
  <moldb-inchikey>KPFSRLMBHURAKC-SSDVNMTOSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">474.087702</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>3.6</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>CHEM317243</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>N-[(e)-(4-chloro-3-nitrophenyl)methylideneamino]-2-[[4-ethyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]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>CED0272071</sync-id>
  <structure-inchikey>KPFSRLMBHURAKC-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>40204000000000800000000800000000000000000100000000000000000000000002000c02200004002002002080000000000000000000000000200000000000000000400000000000000000000020002000000300001a04000010400000040000210000010240200080100000800000080100000000000000000100000000000040000000000000000000000190880000001000000000000000000000000000000000000000000000080000000000000000400000000000002800000080000000004000000000800000000000000010000000002000000200000000000000000000000004001048000000000400000000011000000000000000004000</structure-fingerprint>
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  <structure-indexed-at type="dateTime">2026-09-19T05:26:13Z</structure-indexed-at>
</compound>
