Structure Information
Structure

Compound Identification

SMILES

CCCCC1=NN=C(SCC2=CC=CC=C2Cl)N1CC1=CC=C(C=C1)[N+]([O-])=O

InChIKey

InChIKey=VNYLRMYKEDIJLT-UHFFFAOYSA-N

Formula

C20H21ClN4O2S

Mass

416.92

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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 - Aryl thioether - Nitroaromatic compound - Alkylarylthioether - Halobenzene - Chlorobenzene - Aryl chloride - Aryl halide - Heteroaromatic compound - 1,2,4-triazole - Azole - Organic nitro compound - C-nitro compound - Azacycle - Organoheterocyclic compound - Organic oxoazanium - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Sulfenyl compound - Thioether - Organic nitrogen compound - Organic oxygen compound - Organochloride - Organonitrogen compound - Organohalogen compound - Organosulfur compound - Organic salt - Hydrocarbon derivative - Organic oxide - Organic cation - 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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