Structure Information
Structure

Compound Identification

SMILES

[O-][N+](=O)C1=CC=C(C=C1)N(CC1=CC=C(Cl)C=C1)C(=O)CSC1=NN=C(O1)C1=CN=CC=C1

InChIKey

InChIKey=JJYOUWFFAVEJOU-UHFFFAOYSA-N

Formula

C22H16ClN5O4S

Mass

481.91

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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 - Anilide - Aryl thioether - Nitroaromatic compound - Chlorobenzene - Halobenzene - Alkylarylthioether - Aryl chloride - Aryl halide - Pyridine - 1,3,4-oxadiazole - Azole - Heteroaromatic compound - Oxadiazole - Tertiary carboxylic acid amide - Organic nitro compound - Carboxamide group - C-nitro compound - Propargyl-type 1,3-dipolar organic compound - Organoheterocyclic compound - Azacycle - Organic 1,3-dipolar compound - Allyl-type 1,3-dipolar organic compound - Carboxylic acid derivative - Organic oxoazanium - Oxacycle - Thioether - Sulfenyl compound - Organohalogen compound - Organic nitrogen compound - Organic zwitterion - Organic salt - Organochloride - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organic oxygen compound - Carbonyl group - Organic oxide - Hydrocarbon derivative - 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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