Compound Identification
SMILES
CSC1=NC(\C=C2/SC3=CC(=C(C=C3N2C)S(O)(=O)=O)[N+]([O-])=O)=CC(C)=[N+]1C1=CC=CC=C1
InChIKey
InChIKey=RPUKGNLYDCJEBR-UHFFFAOYSA-O
Formula
C21H19N4O5S3
Mass
503.59
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
1-sulfo,2-unsubstituted aromatic compounds Nitroaromatic compounds Alkylarylthioethers Benzene and substituted derivatives Pyrimidines and pyrimidine derivatives Thiazoles Sulfonyls Heteroaromatic compounds Organosulfonic acids Ketene acetals Azacyclic compounds Sulfenyl compounds Organic oxoazanium compounds Hydrocarbon derivatives Amines Organic oxides Organic salts Organic cations
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Arylsulfonic acid or derivatives - 1-sulfo,2-unsubstituted aromatic compound - Benzo-thiazole - 1,2-benzothiazole - 1,3-benzothiazole - Aryl thioether - Nitroaromatic compound - Alkylarylthioether - Monocyclic benzene moiety - Benzenoid - Pyrimidine - Sulfonyl - Organosulfonic acid or derivatives - Organosulfonic acid - Heteroaromatic compound - Organic sulfonic acid or derivatives - Thiazole - Ketene acetal or derivatives - C-nitro compound - Organic nitro compound - Organic oxoazanium - Azacycle - Sulfenyl compound - Thioether - Organic salt - Organic nitrogen compound - Organosulfur compound - Organonitrogen compound - Amine - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic cation - 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