Compound Identification
SMILES
CC1=CSC(=N1)C(C#N)C1=NS(=O)(=O)C2=CC=CC=C12
InChIKey
InChIKey=JXPYKYYOBUSJNP-UHFFFAOYSA-N
Formula
C13H9N3O2S2
Mass
303.35
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
2,4-disubstituted thiazoles Benzenoids Organosulfonic acids and derivatives Heteroaromatic compounds Nitriles Azacyclic compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
1,2-benzothiazole - 2,4-disubstituted 1,3-thiazole - Benzenoid - Azole - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Heteroaromatic compound - Thiazole - Carbonitrile - Nitrile - Azacycle - Organonitrogen compound - Organic nitrogen compound - Cyanide - Organic oxide - 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