Compound Identification
SMILES
ClC(Br)C(=O)C(C#N)=C1NC2=CC=CC=C2S1
InChIKey
InChIKey=USPOCUKXZVCYSS-UHFFFAOYSA-N
Formula
C11H6BrClN2OS
Mass
329.6
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 thioethers Vinylogous thioesters Benzenoids Vinylogous amides Thiazoles Acryloyl compounds Alpha-chloroketones Enones Ketene acetals Nitriles Azacyclic compounds Hydrocarbon derivatives Organic oxides Amines Organobromides Alkyl chlorides Alkyl bromides Organochlorides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzo-thiazole - 1,2-benzothiazole - 1,3-benzothiazole - Aryl thioether - Vinylogous thioester - Benzenoid - Alpha-haloketone - Alpha-chloroketone - Acryloyl-group - Enone - Vinylogous amide - Thiazole - Ketene acetal or derivatives - Ketone - Azacycle - Carbonitrile - Nitrile - Organohalogen compound - Alkyl chloride - Alkyl bromide - Organooxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Carbonyl group - Organic oxide - Cyanide - Organic oxygen compound - Amine - Alkyl halide - Organobromide - Organochloride - Organonitrogen 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