Compound Identification
SMILES
CC1=CC=CC=C1NC=C(C#N)C1=NC(=CS1)C1=CC2=C(OCO2)C=C1
InChIKey
InChIKey=ZYKWKWZPDQBRJK-UHFFFAOYSA-N
Formula
C20H15N3O2S
Mass
361.42
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
Aniline and substituted anilines Aminotoluenes 2,4-disubstituted thiazoles Heteroaromatic compounds Secondary amines Oxacyclic compounds Nitriles Enamines Azacyclic compounds Acetals Organopnictogen compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzodioxole - Aniline or substituted anilines - Aminotoluene - 2,4-disubstituted 1,3-thiazole - Toluene - Monocyclic benzene moiety - Benzenoid - Azole - Thiazole - Heteroaromatic compound - Acetal - Secondary amine - Nitrile - Carbonitrile - Enamine - Oxacycle - Azacycle - Hydrocarbon derivative - Cyanide - Organooxygen compound - Organonitrogen compound - Organopnictogen compound - Organic oxygen 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