Structure Information
Structure

Compound Identification

SMILES

[O-][N+](=O)C1=CC=C(C=C1)C1=CC=C(O1)C1=NN2C(CNC3=CC=CC=C3Cl)=NN=C2SC1

InChIKey

InChIKey=QNJGUZXZTHGGHM-UHFFFAOYSA-N

Formula

C21H15ClN6O3S

Mass

466.9

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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 heteropolycyclic compounds

Substituents

Nitrobenzene - Aryl thioether - Nitroaromatic compound - Phenylalkylamine - Aniline or substituted anilines - Chlorobenzene - Halobenzene - Secondary aliphatic/aromatic amine - Aralkylamine - Alkylarylthioether - Aryl chloride - Aryl halide - Azole - Furan - Heteroaromatic compound - 1,2,4-triazole - C-nitro compound - Organic nitro compound - Allyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organoheterocyclic compound - Thioether - Secondary amine - Propargyl-type 1,3-dipolar organic compound - Oxacycle - Azacycle - Organic oxoazanium - Organic zwitterion - Organochloride - Organohalogen compound - Organonitrogen compound - Amine - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Aromatic heteropolycyclic 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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