Compound Identification
SMILES
ClC1=CC=C(OCC2=NC3=CC=CC=C3N2S(=O)(=O)C2=CC=CC3=NSN=C23)C=C1
InChIKey
InChIKey=FJXUDUMAAGTBHB-UHFFFAOYSA-N
Formula
C20H13ClN4O3S2
Mass
456.92
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
Benzimidazoles Phenol ethers Phenoxy compounds Alkyl aryl ethers Chlorobenzenes N-substituted imidazoles Aryl chlorides Heteroaromatic compounds Thiadiazoles Organosulfonic acids and derivatives Sulfonyls Azacyclic compounds Organonitrogen compounds Organochlorides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzimidazole - 2,1,3-benzothiadiazole - Phenoxy compound - Phenol ether - Alkyl aryl ether - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - N-substituted imidazole - Azole - Heteroaromatic compound - Thiadiazole - Sulfonyl - Imidazole - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Ether - Azacycle - Organic nitrogen compound - Organic oxide - Organic oxygen compound - Hydrocarbon derivative - Organohalogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Organosulfur 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