Structure Information
Structure

Compound Identification

SMILES

CN(C)C1=C(C=C(C=NC2=CC3=C(C=C2)N=C(SCC2=CC=C(Br)C=C2)S3)C=C1)[N+]([O-])=O

InChIKey

InChIKey=OYHCYIJJLHATFN-UHFFFAOYSA-N

Formula

C23H19BrN4O2S2

Mass

527.46

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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

1,3-benzothiazole - Nitrobenzene - Aryl thioether - Nitroaromatic compound - Aniline or substituted anilines - Dialkylarylamine - Tertiary aliphatic/aromatic amine - Bromobenzene - Halobenzene - Alkylarylthioether - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Benzenoid - Azole - Heteroaromatic compound - Thiazole - C-nitro compound - Organic nitro compound - Shiff base - Tertiary amine - Sulfenyl compound - Thioether - Organic 1,3-dipolar compound - Aldimine - Azacycle - Propargyl-type 1,3-dipolar organic compound - Organic oxoazanium - Allyl-type 1,3-dipolar organic compound - Organic nitrogen compound - Organic salt - Organohalogen compound - Organobromide - Imine - Organonitrogen compound - Amine - Hydrocarbon derivative - Organic oxide - Organosulfur compound - 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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