Compound Identification
SMILES
CC1=CC(Cl)=CC2=C1N=C(NC(=O)C1=CC=C(O1)[N+]([O-])=O)S2
InChIKey
InChIKey=JCSRIVGDJCZLRA-UHFFFAOYSA-N
Formula
C13H8ClN3O4S
Mass
337.73
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-heteroaryl carboxamides Furoic acid and derivatives Nitroaromatic compounds Nitrofurans Aryl chlorides Benzenoids Thiazoles Heteroaromatic compounds Secondary carboxylic acid amides Propargyl-type 1,3-dipolar organic compounds Oxacyclic compounds Azacyclic compounds Organic oxoazanium compounds Organochlorides Hydrocarbon derivatives Organonitrogen compounds Organooxygen compounds Organic zwitterions Organic oxides Organopnictogen compounds Organic salts
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
1,3-benzothiazole - 2-heteroaryl carboxamide - Furoic acid or derivatives - Nitroaromatic compound - 2-nitrofuran - Aryl chloride - Aryl halide - Benzenoid - Azole - Heteroaromatic compound - Furan - Thiazole - Carboxamide group - C-nitro compound - Organic nitro compound - Secondary carboxylic acid amide - Carboxylic acid derivative - Oxacycle - Azacycle - Organic oxoazanium - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organopnictogen compound - Organohalogen compound - Organic salt - Organic oxygen compound - Organic nitrogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Organic oxide - Hydrocarbon derivative - Organic zwitterion - 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