Structure Information
Structure

Compound Identification

SMILES

CSC1=CC=C(C=C1)C1N2C(=O)C(SC2=NC(C)=C1C(=O)OCC(C)C)=CC1=CC(=CC=C1)[N+]([O-])=O

InChIKey

InChIKey=NWSHCNDERXBLEO-UHFFFAOYSA-N

Formula

C26H25N3O5S2

Mass

523.62

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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 - Thiophenol ether - Alkylarylthioether - Azole - Thiazole - Heteroaromatic compound - Enoate ester - Alpha,beta-unsaturated carboxylic ester - Carboxylic acid ester - Isothiourea - Lactam - C-nitro compound - Organic nitro compound - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organic oxoazanium - Thioether - Sulfenyl compound - Azacycle - Carbonyl group - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organic oxide - Organic salt - Hydrocarbon derivative - Organic nitrogen compound - Organic zwitterion - Organic oxygen 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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