Compound Identification
SMILES
CC1=CC(C(=O)C(O)=O)=C(C)N1C1=CC2=C(SN=N2)C=C1
InChIKey
InChIKey=XLBZPCCAZQOLIK-UHFFFAOYSA-N
Formula
C14H11N3O3S
Mass
301.32
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
- Class Benzothiadiazoles
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Benzothiadiazoles
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Benzothiadiazoles
Alternative Parents
Aryl ketones Substituted pyrroles Benzenoids Alpha-keto acids and derivatives Vinylogous amides Thiadiazoles Heteroaromatic compounds Alpha-hydroxy ketones Monocarboxylic acids and derivatives Carboxylic acids Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
1,2,3-benzothiadiazole - Aryl ketone - Alpha-keto acid - Keto acid - Benzenoid - Substituted pyrrole - Alpha-hydroxy ketone - Azole - Heteroaromatic compound - Vinylogous amide - Thiadiazole - Pyrrole - Ketone - Carboxylic acid derivative - Carboxylic acid - Azacycle - Monocarboxylic acid or derivatives - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Organooxygen compound - Organic oxide - Organonitrogen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as benzothiadiazoles. These are heterocyclic aromatic compounds containing a benzene ring fused to a thiadiazole ring. Thiadiazole is a five-membered aromatic heterocycle made up of one sulfur atom and two nitrogen atoms.
External Descriptors
Not available