Compound Identification
SMILES
ClC1=C(Cl)C=C(N\C=C(\C#N)C2=NC(=CS2)C2=CC3=C(OCO3)C=C2)C=C1
InChIKey
InChIKey=NTVGUNNGMJYPER-WQLSENKSSA-N
Formula
C19H11Cl2N3O2S
Mass
416.28
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
Dichlorobenzenes Aniline and substituted anilines 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 - 1,2-dichlorobenzene - Aniline or substituted anilines - 2,4-disubstituted 1,3-thiazole - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Thiazole - Heteroaromatic compound - Azole - Secondary amine - Oxacycle - Azacycle - Acetal - Nitrile - Carbonitrile - Enamine - Organooxygen compound - Cyanide - Organopnictogen compound - Organic oxygen compound - Amine - Hydrocarbon derivative - Organohalogen compound - Organic nitrogen compound - Organochloride - Organonitrogen 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