Structure Information
Structure

Compound Identification

SMILES

NC(=S)N1N=C(C(=NNC2=CC=C(Br)C=C2)C1=O)C1=CC=C(C=C1)[N+]([O-])=O

InChIKey

InChIKey=SOHNMPDKOROAQA-UHFFFAOYSA-N

Formula

C16H11BrN6O3S

Mass

447.27

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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 - Bromobenzene - Halobenzene - Aryl bromide - Aryl halide - Pyrazolinone - Thiosemicarbazone - Pyrazoline - C-nitro compound - Organic nitro compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Allyl-type 1,3-dipolar organic compound - Organoheterocyclic compound - Carboxylic acid derivative - Hydrazone - Azacycle - Organic oxoazanium - Organic zwitterion - Organobromide - Organonitrogen compound - Organohalogen compound - Organooxygen compound - Organosulfur compound - Hydrocarbon derivative - Organic nitrogen compound - Carbonyl group - Organic oxide - 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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