Compound Identification
SMILES
OC(=O)CC(O)(CC(O)=O)C(O)=O.ClC1=C(NC2=NCCN2)C2=NSN=C2C=C1
InChIKey
InChIKey=RJXGQQXNFPLDRB-UHFFFAOYSA-N
Formula
C15H16ClN5O7S
Mass
445.83
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
Tricarboxylic acids and derivatives Alpha hydroxy acids and derivatives Aryl chlorides Benzenoids Thiadiazoles Tertiary alcohols Heteroaromatic compounds Imidazolines Guanidines Carboxylic acids Carboximidamides Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Amines Carbonyl compounds Hydrocarbon derivatives Organic oxides Organochlorides
Molecular Framework
Not available
Substituents
2,1,3-benzothiadiazole - Tricarboxylic acid or derivatives - Alpha-hydroxy acid - Aryl chloride - Aryl halide - Hydroxy acid - Benzenoid - Heteroaromatic compound - Azole - 2-imidazoline - Tertiary alcohol - Thiadiazole - Guanidine - Propargyl-type 1,3-dipolar organic compound - Carboximidamide - Organic 1,3-dipolar compound - Carboxylic acid derivative - Carboxylic acid - Azacycle - Amine - Alcohol - Organic oxygen compound - Carbonyl group - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organohalogen compound - Organochloride - Organonitrogen compound - Organooxygen 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