Compound Identification
SMILES
BrC1=CC2=C(C=C1)N=C(S2)N(CCC#N)CCC#N
InChIKey
InChIKey=PGBMFOFYWUDSGM-UHFFFAOYSA-N
Formula
C13H11BrN4S
Mass
335.22
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
Dialkylarylamines Benzenoids Aryl bromides 2-amino-1,3-thiazoles Heteroaromatic compounds Nitriles Azacyclic compounds Organobromides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
1,3-benzothiazole - Dialkylarylamine - Aryl bromide - Aryl halide - 1,3-thiazol-2-amine - Benzenoid - Azole - Heteroaromatic compound - Thiazole - Azacycle - Carbonitrile - Nitrile - Organic nitrogen compound - Amine - Hydrocarbon derivative - Cyanide - Organohalogen compound - Organobromide - 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