Structure Information
Structure

Compound Identification

SMILES

[O-][N+](=O)C1=CC=C(C=C1)C(=O)NC1=C(C#N)C(SCC2=CC=CC=C2Cl)=NN1

InChIKey

InChIKey=GMTVNMCWLKGJJC-UHFFFAOYSA-N

Formula

C18H12ClN5O3S

Mass

413.84

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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

Benzamide - Benzoic acid or derivatives - Nitrobenzene - Aryl thioether - Nitroaromatic compound - Benzoyl - Chlorobenzene - Halobenzene - Alkylarylthioether - Aryl chloride - Aryl halide - Azole - Heteroaromatic compound - Pyrazole - Carboxamide group - C-nitro compound - Organic nitro compound - Secondary carboxylic acid amide - Thioether - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Sulfenyl compound - Carboxylic acid derivative - Azacycle - Carbonitrile - Organic oxoazanium - Nitrile - Organic 1,3-dipolar compound - Organoheterocyclic compound - Organic oxygen compound - Organohalogen compound - Organochloride - Organonitrogen compound - Organic nitrogen compound - Organooxygen compound - Organic salt - Hydrocarbon derivative - Organic oxide - Cyanide - Organosulfur compound - Organic zwitterion - 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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