Structure Information
Structure

Compound Identification

SMILES

CC1=C2N=C(NC3=NC=NC(NC4=CC(Br)=CC=C4)=C3[N+]([O-])=O)SC2=CC=C1

InChIKey

InChIKey=XVWIFXVGBKQKGY-UHFFFAOYSA-N

Formula

C18H13BrN6O2S

Mass

457.31

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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 - Nitroaromatic compound - Aniline or substituted anilines - Aminopyrimidine - Bromobenzene - Halobenzene - Monocyclic benzene moiety - Pyrimidine - Aryl halide - Benzenoid - Aryl bromide - Imidolactam - 1,3-thiazol-2-amine - Azole - Heteroaromatic compound - Thiazole - C-nitro compound - Organic nitro compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organic oxoazanium - Secondary amine - Azacycle - Organic oxide - Organohalogen compound - Amine - Organic nitrogen compound - Organobromide - Organonitrogen compound - Organic zwitterion - Organic salt - Organic oxygen compound - Hydrocarbon derivative - 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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