Compound Identification
SMILES
CC1=C(Cl)C=C(NC=C(C#N)C2=NC(=CS2)C2=CC3=C(OCO3)C=C2)C=C1
InChIKey
InChIKey=ZVMVAAHFNKRHEC-UHFFFAOYSA-N
Formula
C20H14ClN3O2S
Mass
395.86
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 Chlorobenzenes 2,4-disubstituted thiazoles Aryl chlorides Heteroaromatic compounds Secondary amines Oxacyclic compounds Nitriles Enamines Azacyclic compounds Acetals Organopnictogen compounds Organochlorides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzodioxole - Aminotoluene - Aniline or substituted anilines - 2,4-disubstituted 1,3-thiazole - Chlorobenzene - Toluene - Halobenzene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Azole - Heteroaromatic compound - Thiazole - Acetal - Oxacycle - Azacycle - Enamine - Secondary amine - Carbonitrile - Nitrile - Amine - Organic nitrogen compound - Hydrocarbon derivative - Organic oxygen compound - Organopnictogen compound - Cyanide - Organohalogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - 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