Structure Information
Structure

Compound Identification

SMILES

[O-][N+](=O)C1=CC=C(C=C1)C1=CSC(=N1)C(=N\NC1=CC=C(Br)C=C1)\C#N

InChIKey

InChIKey=MISWXHBZPCERRM-PXLXIMEGSA-N

Formula

C17H10BrN5O2S

Mass

428.26

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Benzenoids

Class

Benzene and substituted derivatives

Subclass

Nitrobenzenes

Intermediate Tree Nodes

Not available

Direct Parent

Nitrobenzenes

Alternative Parents

Molecular Framework

Aromatic heteromonocyclic compounds

Substituents

Nitrobenzene - Nitroaromatic compound - Phenylhydrazine - 2,4-disubstituted 1,3-thiazole - Bromobenzene - Halobenzene - Aryl bromide - Aryl halide - Azole - Heteroaromatic compound - Thiazole - C-nitro compound - Organic nitro compound - Allyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Organoheterocyclic compound - Azacycle - Hydrazone - Organic oxoazanium - Carbonitrile - Nitrile - Organic zwitterion - Organic nitrogen compound - Organohalogen compound - Organobromide - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Cyanide - Organic oxygen compound - Organic salt - Aromatic heteromonocyclic compound

Description

This compound belongs to the class of organic compounds known as nitrobenzenes. These are compounds containing a nitrobenzene moiety, which consists of a benzene ring with a carbon bearing a nitro group.

External Descriptors

Not available

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