Structure Information
Structure

Compound Identification

SMILES

CC1=C(Br)C=CC(NC(=S)NNC(=O)C2=CC(=CC=C2)[N+]([O-])=O)=C1

InChIKey

InChIKey=GTHACYRVVPPTGL-UHFFFAOYSA-N

Formula

C15H13BrN4O3S

Mass

409.26

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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 homomonocyclic compounds

Substituents

Benzoic acid or derivatives - Nitrobenzene - Nitroaromatic compound - Benzoyl - Bromobenzene - Halobenzene - Toluene - Aryl bromide - Aryl halide - Thiosemicarbazide - Organic nitro compound - Carboxylic acid hydrazide - C-nitro compound - Carboxylic acid derivative - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Organohalogen compound - Organic zwitterion - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Organic salt - Hydrocarbon derivative - Organobromide - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Aromatic homomonocyclic 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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