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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:42:30 UTC
Update Date2025-03-25 00:47:23 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02161313
Frequency0.5
Structure
Chemical FormulaC9H11Cl2N3O3S
Molecular Mass310.9898
SMILESNC(N)=NCCS(=O)(=O)Oc1ccc(Cl)cc1Cl
InChI KeyCQORWNKJDGXAEX-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classbenzene and substituted derivatives
Subclass halobenzenes
Direct Parent dichlorobenzenes
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • aryl chlorides
  • carboximidamides
  • guanidines
  • hydrocarbon derivatives
  • organic oxides
  • organochlorides
  • organooxygen compounds
  • organopnictogen compounds
  • organosulfonic acid esters
  • phenoxy compounds
  • propargyl-type 1,3-dipolar organic compounds
  • sulfonic acid esters
  • sulfonyls
    • Substituents
  • organosulfonic acid or derivatives
  • guanidine
  • organochloride
  • organosulfur compound
  • organohalogen compound
  • 1,3-dichlorobenzene
  • propargyl-type 1,3-dipolar organic compound
  • sulfonic acid ester
  • organic oxide
  • organonitrogen compound
  • organopnictogen compound
  • aryl chloride
  • organic 1,3-dipolar compound
  • carboximidamide
  • organosulfonic acid ester
  • aryl halide
  • aromatic homomonocyclic compound
  • sulfonyl
  • organic oxygen compound
  • organic sulfonic acid or derivatives
  • hydrocarbon derivative
  • organic nitrogen compound
  • phenoxy compound
  • organooxygen compound