Structure Information
Structure

Compound Identification

SMILES

CC(=O)SC1=CC=C(C=C1)C#CC1=C(N)C=C(C#CC2=CC=CC=C2)C(=C1)[N+]([O-])=O

InChIKey

InChIKey=QIANDBGMWAOTLV-UHFFFAOYSA-N

Formula

C24H16N2O3S

Mass

412.46

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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 homomonocyclic compounds

Substituents

Nitrobenzene - Thiophenol ester - Aryl thioether - Nitroaromatic compound - Aniline or substituted anilines - Amino acid or derivatives - C-nitro compound - Thiocarboxylic acid ester - Organic nitro compound - Carbothioic s-ester - Carboxylic acid derivative - Organic oxoazanium - Thiocarboxylic acid or derivatives - Sulfenyl compound - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Primary amine - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic salt - Carbonyl group - Organic zwitterion - Amine - Organic oxygen compound - Organic oxide - Aromatic homomonocyclic 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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