<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">320602</id>
  <title nil="true"/>
  <common-name>2-[[5-[2-(2-cyanoanilino)-2-oxoethyl]sulfanyl-1,2,4-thiadiazol-3-yl]sulfanyl]-n-(2-cyanophenyl)acetamide</common-name>
  <description>2-[[5-[2-(2-cyanoanilino)-2-oxoethyl]sulfanyl-1,2,4-thiadiazol-3-yl]sulfanyl]-n-(2-cyanophenyl)acetamide is a chemical compound with the formula C20H14N6O2S3. It has an average molecular weight of 466.60 g/mol.</description>
  <cas>381679-09-0</cas>
  <pubchem-id>1989225</pubchem-id>
  <chemical-formula>C20H14N6O2S3</chemical-formula>
  <weight>466.6</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">2026-08-29T19:36:43Z</created-at>
  <updated-at type="dateTime">2026-08-29T19:36:43Z</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>C1=CC=C(C(=C1)C#N)NC(=O)CSC2=NSC(=N2)SCC(=O)NC3=CC=CC=C3C#N</moldb-smiles>
  <moldb-formula>C20H14N6O2S3</moldb-formula>
  <moldb-inchi>InChI=1S/C20H14N6O2S3/c21-9-13-5-1-3-7-15(13)23-17(27)11-29-19-25-20(31-26-19)30-12-18(28)24-16-8-4-2-6-14(16)10-22/h1-8H,11-12H2,(H,23,27)(H,24,28)</moldb-inchi>
  <moldb-inchikey>FTXIQRNVKPNAIO-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">466.0340372</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>4.8</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>CHEM316495</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-[2-(2-cyanoanilino)-2-oxoethyl]sulfanyl-1,2,4-thiadiazol-3-yl]sulfanyl]-n-(2-cyanophenyl)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>CED0271340</sync-id>
  <structure-inchikey>FTXIQRNVKPNAIO-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>4000000000810000000820000000000000000000000000000000000000400000000000000004000040002000000000000000000000000000000000200000000000000000000000000000002420000030000000000000000000000000000200010000000000000004800000000000000000000000400000010100000000000002000002800000000000800080000000000100000080000000000000000000000000000000000000088000000000000000010000000000002000000000000000000000000000000000000000000000008000000000000200000000000000008000000001020040000000000400000008010000000000000000000000</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���h�B���������������������������������</structure-pickle>
  <structure-indexed-at type="dateTime">2026-09-19T05:25:43Z</structure-indexed-at>
</compound>
