<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">316495</id>
  <title nil="true"/>
  <common-name>2-[[5-[(4-chlorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]sulfanyl]-n-(4-ethylphenyl)acetamide</common-name>
  <description>2-[[5-[(4-chlorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]sulfanyl]-n-(4-ethylphenyl)acetamide is a chemical compound with the formula C19H18ClN3OS3. It has an average molecular weight of 436.00 g/mol.</description>
  <cas>499101-90-5</cas>
  <pubchem-id>1563235</pubchem-id>
  <chemical-formula>C19H18ClN3OS3</chemical-formula>
  <weight>436</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">2026-08-29T14:17:22Z</created-at>
  <updated-at type="dateTime">2026-08-29T14:17:22Z</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>CCC1=CC=C(C=C1)NC(=O)CSC2=NN=C(S2)SCC3=CC=C(C=C3)Cl</moldb-smiles>
  <moldb-formula>C19H18ClN3OS3</moldb-formula>
  <moldb-inchi>InChI=1S/C19H18ClN3OS3/c1-2-13-5-9-16(10-6-13)21-17(24)12-26-19-23-22-18(27-19)25-11-14-3-7-15(20)8-4-14/h3-10H,2,11-12H2,1H3,(H,21,24)</moldb-inchi>
  <moldb-inchikey>ZBDWTCQKFVEWDH-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">435.0300534</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>5.9</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>CHEM312388</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-chlorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]sulfanyl]-n-(4-ethylphenyl)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>CED0267329</sync-id>
  <structure-inchikey>ZBDWTCQKFVEWDH-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>4000000000800000000800000040002000000100000080000000000000000002000200000004000000002000000000000000000001000000000000000000000000400000000000000100000020000010000000000000000000002000000004010080000010000000000000040000000000000000000000010100000000000040020400000000000000000080080000000000000000000000020000000000000000000000000000080000000200000000010000000000002000000000000001000000000000000000000000000010000000000000000220000000000100008000000000000040000000000400000000010000000000000000000000</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���h������h��h���h�B���������������������������������</structure-pickle>
  <structure-indexed-at type="dateTime">2026-09-19T05:22:33Z</structure-indexed-at>
</compound>
