Structure Information
Structure

Compound Identification

SMILES

OCCSC1=C(C=C(C=C2SC(=S)N(NC(=O)C34CC5CC(CC(C5)C3)C4)C2=O)C=C1)[N+]([O-])=O

InChIKey

InChIKey=PIXNLSIXTBABJU-UHFFFAOYSA-N

Formula

C23H25N3O5S3

Mass

519.65

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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 - Diacylhydrazine - Thiazolidinethione - Thiazolidine - Carboxylic acid hydrazide - C-nitro compound - Organic nitro compound - Carboxylic acid derivative - Organic oxoazanium - Azacycle - Thioether - Organoheterocyclic compound - Sulfenyl compound - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Hydrocarbon derivative - Primary alcohol - Organosulfur compound - Organooxygen compound - Carbonyl group - Alcohol - Organic nitrogen compound - Organic oxygen compound - Organic zwitterion - Organic oxide - Organonitrogen compound - Organic salt - 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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