Structure Information
Structure

Compound Identification

SMILES

[Cl-].CCN1C(SC2=C1C=CC(=C2)[N+]([O-])=O)=CC=CC1=[N+](CC)C2=C(S1)C=C(C=C2)[N+]([O-])=O

InChIKey

InChIKey=WGQSXDTWWANNBK-UHFFFAOYSA-M

Formula

C21H19ClN4O4S2

Mass

490.98

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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

Benzo-thiazole - 1,2-benzothiazole - 1,3-benzothiazole - Aryl thioether - Nitroaromatic compound - Benzenoid - Azole - Thiazole - Heteroaromatic compound - Ketene acetal or derivatives - C-nitro compound - Organic nitro compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Azacycle - Organic oxoazanium - Hydrocarbon derivative - Organonitrogen compound - Organic nitrogen compound - Organic oxide - Organopnictogen compound - Organic salt - Organic chloride salt - 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

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