Structure Information
Structure

Compound Identification

SMILES

Cl.CCCCC1=CC=C(C=C1)N=C1SC=C(CC(=O)NC2=CC=C(C=C2)[N+]([O-])=O)N1C

InChIKey

InChIKey=ZRCPHFPRTYQVCQ-UHFFFAOYSA-N

Formula

C22H25ClN4O3S

Mass

460.98

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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 - Nitroaromatic compound - N-arylamide - Azole - Thiazole - Heteroaromatic compound - Carboxamide group - Isothiourea - C-nitro compound - Secondary carboxylic acid amide - Organic nitro compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Carboxylic acid derivative - Azacycle - Organoheterocyclic compound - Organic oxoazanium - Organic zwitterion - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Carbonyl group - Organic nitrogen compound - Organic salt - Organic oxide - Hydrochloride - 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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