Compound Identification
SMILES
CC1=C(C=C(C=C1)C(=O)NC1=NC2=C(S1)C=C(Cl)C=C2)[N+]([O-])=O
InChIKey
InChIKey=KEROLTVGWPKJOH-UHFFFAOYSA-N
Formula
C15H10ClN3O3S
Mass
347.77
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
p-Toluamides Benzamides Nitrotoluenes Nitrobenzenes Benzoyl derivatives Nitroaromatic compounds Aryl chlorides Thiazoles Heteroaromatic compounds Secondary carboxylic acid amides Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Organic oxoazanium compounds Organic oxides Hydrocarbon derivatives Organic salts Organic zwitterions Organochlorides Organonitrogen compounds Organooxygen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Nitrobenzene - 1,3-benzothiazole - Nitrotoluene - Benzoic acid or derivatives - P-toluamide - Toluamide - Benzamide - Benzoyl - Nitroaromatic compound - Toluene - Aryl halide - Benzenoid - Aryl chloride - Monocyclic benzene moiety - Azole - Thiazole - Heteroaromatic compound - Organic nitro compound - Carboxamide group - C-nitro compound - Secondary carboxylic acid amide - Allyl-type 1,3-dipolar organic compound - Azacycle - Organic 1,3-dipolar compound - Carboxylic acid derivative - Propargyl-type 1,3-dipolar organic compound - Organic oxoazanium - Organooxygen compound - Organic nitrogen compound - Organic oxide - Organic salt - Organic oxygen compound - Hydrocarbon derivative - Organohalogen compound - Organic zwitterion - 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