Compound Identification
SMILES
OC(=O)C1=CC=C(NCN2C(=S)SC3=C2C=CC(=C3)[N+]([O-])=O)C=C1
InChIKey
InChIKey=GQUDPLWJUJAQKH-UHFFFAOYSA-N
Formula
C15H11N3O4S2
Mass
361.39
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
Benzoic acids Phenylalkylamines Benzoyl derivatives Nitroaromatic compounds Thiazoles Heteroaromatic compounds Azacyclic compounds Propargyl-type 1,3-dipolar organic compounds Carboxylic acids Organic oxoazanium compounds Hydrocarbon derivatives Organooxygen compounds Organic zwitterions Organic oxides Organosulfur compounds Organic salts
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzoic acid or derivatives - Benzoic acid - 1,3-benzothiazole - Nitroaromatic compound - Phenylalkylamine - Benzoyl - Monocyclic benzene moiety - Benzenoid - Azole - Heteroaromatic compound - Thiazole - Organic nitro compound - C-nitro compound - Azacycle - Carboxylic acid derivative - Carboxylic acid - Organic 1,3-dipolar compound - Organic oxoazanium - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organic zwitterion - Organic salt - 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