Structure Information
Structure

Compound Identification

SMILES

CC1=CC=CC=C1NC(SCC1=CC(=CC=C1)[N+]([O-])=O)=C(C#N)C(N)=O

InChIKey

InChIKey=HKRWDOQEUVFQOB-UHFFFAOYSA-N

Formula

C18H16N4O3S

Mass

368.41

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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 - Nitroaromatic compound - Toluene - Vinylogous thioester - Vinylogous amide - Carboxamide group - Ketene acetal or derivatives - C-nitro compound - Primary carboxylic acid amide - Organic nitro compound - Carbonitrile - Nitrile - Organic oxoazanium - Carboxylic acid derivative - Sulfenyl compound - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organooxygen compound - Organonitrogen compound - Organic oxide - Organic nitrogen compound - Organosulfur compound - Cyanide - Organic oxygen compound - Organic salt - Organic zwitterion - Hydrocarbon derivative - Carbonyl group - 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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