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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:48:49 UTC
Update Date2025-03-25 00:49:39 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02175794
Frequency0.5
Structure
Chemical FormulaC11H12N2OS
Molecular Mass220.067
SMILESCc1ccc(N=C2SCC(=O)N2C)cc1
InChI KeyQDZCWKXNZOSMKR-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classbenzene and substituted derivatives
Subclass toluenes
Direct Parent toluenes
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • azacyclic compounds
  • carbonyl compounds
  • carboxylic acids and derivatives
  • hydrocarbon derivatives
  • isothioureas
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • propargyl-type 1,3-dipolar organic compounds
  • thiazolidines
    • Substituents
  • carbonyl group
  • aromatic heteromonocyclic compound
  • azacycle
  • organic 1,3-dipolar compound
  • carboxylic acid derivative
  • propargyl-type 1,3-dipolar organic compound
  • organic oxide
  • organic oxygen compound
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • toluene
  • organoheterocyclic compound
  • organooxygen compound
  • thiazolidine
  • isothiourea