Compound Identification
SMILES
ClC1=CC=CC(NC2=NC(=O)C(S2)=CC2=CC3=C(OCO3)C=C2Br)=C1Cl
InChIKey
InChIKey=YBWKYHIVVZSFOM-UHFFFAOYSA-N
Formula
C17H9BrCl2N2O3S
Mass
472.13
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 Dichlorobenzenes Aryl bromides Aryl chlorides Thiazolines Isothioureas N-acylimines Acetals Propargyl-type 1,3-dipolar organic compounds Oxacyclic compounds Azacyclic compounds Carboxylic acids and derivatives Carbonyl compounds Organopnictogen compounds Organochlorides Hydrocarbon derivatives Organobromides Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzodioxole - 1,2-dichlorobenzene - Aniline or substituted anilines - Halobenzene - Chlorobenzene - Aryl bromide - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Meta-thiazoline - Isothiourea - N-acylimine - Propargyl-type 1,3-dipolar organic compound - Carboxylic acid derivative - Organic 1,3-dipolar compound - Azacycle - Oxacycle - Acetal - Organic nitrogen compound - Organohalogen compound - Organobromide - Organochloride - Organonitrogen compound - Carbonyl group - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen 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