Structure Information
Structure

Compound Identification

SMILES

CCC1=CC=CC=C1NC(=O)CSC1=C(C#N)C(CC(=O)N1)C1=CC(=CC=C1)[N+]([O-])=O

InChIKey

InChIKey=QCKHDZXRWFOIEB-UHFFFAOYSA-N

Formula

C22H20N4O4S

Mass

436.49

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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 - Tetrahydropyridine - Hydropyridine - Carboxamide group - Ketene acetal or derivatives - Lactam - C-nitro compound - Organic nitro compound - Secondary carboxylic acid amide - Carboxylic acid derivative - Carbonitrile - Nitrile - Azacycle - Organic oxoazanium - Organoheterocyclic compound - Sulfenyl compound - Organic 1,3-dipolar compound - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Cyanide - Organic salt - Organic oxide - Carbonyl group - Organic nitrogen compound - Hydrocarbon derivative - Organic cation - 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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