Compound Identification
SMILES
CC1=C(SC(N)=C1C#N)C1=CC2=C(OCO2)C=C1
InChIKey
InChIKey=GRMWCICSEGAMRK-UHFFFAOYSA-N
Formula
C13H10N2O2S
Mass
258.3
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
- Class Benzodioxoles
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Benzodioxoles
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Benzodioxoles
Alternative Parents
3,4,5-trisubstituted-2-aminothiophenes Primary aromatic amines Benzenoids Heteroaromatic compounds Oxacyclic compounds Nitriles Acetals Organopnictogen compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzodioxole - 3,4,5-trisubstituted-2-aminothiophene - Primary aromatic amine - Benzenoid - 2-aminothiophene - Thiophene - Heteroaromatic compound - Acetal - Nitrile - Carbonitrile - Oxacycle - Hydrocarbon derivative - Cyanide - Organopnictogen compound - Organic oxygen compound - Primary amine - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Amine - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as benzodioxoles. These are organic compounds containing a benzene ring fused to either isomers of dioxole. Dioxole is a five-membered unsaturated ring of two oxygen atoms and three carbon atoms.
External Descriptors
Not available