Structure Information
Structure

Compound Identification

SMILES

CC1=CC=C(C=C1)C1=CSC(SCC(=O)NC2=C(C=CC(C)=C2C)[N+]([O-])=O)=N1

InChIKey

InChIKey=JJCMMCDBMHPSKJ-UHFFFAOYSA-N

Formula

C20H19N3O3S2

Mass

413.51

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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 - Nitrotoluene - Anilide - Aryl thioether - Nitroaromatic compound - N-arylamide - O-xylene - Xylene - 2,4-disubstituted 1,3-thiazole - Toluene - Alkylarylthioether - Azole - Heteroaromatic compound - Thiazole - Secondary carboxylic acid amide - Organic nitro compound - C-nitro compound - Carboxamide group - Carboxylic acid derivative - Azacycle - Organic oxoazanium - Organoheterocyclic compound - Thioether - Organic 1,3-dipolar compound - Sulfenyl compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organooxygen compound - Organonitrogen compound - Organosulfur compound - Carbonyl group - Organic salt - Organic oxide - Organic nitrogen compound - Hydrocarbon derivative - Organic zwitterion - Organic oxygen compound - 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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