Compound Identification
SMILES
BrC1=CC(=CC2=C1N=C(S2)N1C=CC=C1C=O)C#N
InChIKey
InChIKey=KQWPVQHJXUDVCM-UHFFFAOYSA-N
Formula
C13H6BrN3OS
Mass
332.18
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
- Class Benzothiazoles
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Benzothiazoles
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Benzothiazoles
Alternative Parents
Aryl-aldehydes Substituted pyrroles Benzenoids Aryl bromides Thiazoles Heteroaromatic compounds Nitriles Azacyclic compounds Organobromides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
1,3-benzothiazole - Aryl-aldehyde - Aryl bromide - Aryl halide - Substituted pyrrole - Benzenoid - Azole - Pyrrole - Thiazole - Heteroaromatic compound - Nitrile - Carbonitrile - Azacycle - Organic oxide - Organooxygen compound - Organonitrogen compound - Organobromide - Organohalogen compound - Cyanide - Aldehyde - Organic nitrogen compound - Hydrocarbon derivative - Organic oxygen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as benzothiazoles. These are organic compounds containing a benzene fused to a thiazole ring (a five-membered ring with four carbon atoms, one nitrogen atom and one sulfur atom).
External Descriptors
Not available