Structure Information
Structure

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-N

Formula

C21H18N4O5S3

Mass

502.58

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organoheterocyclic compounds

Class

Benzothiazoles

Subclass

Not available

Intermediate Tree Nodes

Not available

Direct Parent

Benzothiazoles

Alternative Parents

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 - Thiazole - Organic sulfonic acid or derivatives - Sulfonyl - Organosulfonic acid or derivatives - Organosulfonic acid - Heteroaromatic compound - C-nitro compound - Ketene acetal or derivatives - Organic nitro compound - Azacycle - Organic 1,3-dipolar compound - Organic oxoazanium - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Sulfenyl compound - Thioether - Organic nitrogen compound - Organic salt - Organonitrogen compound - Organosulfur compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Amine - 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

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