Structure Information
Structure

Compound Identification

SMILES

[O-][N+](=O)C1=CC=C(NC(=O)CSC2=C(C=CC(=N2)C2=CC=CS2)C#N)C=C1

InChIKey

InChIKey=AWKXCKJLIMFNCA-UHFFFAOYSA-N

Formula

C18H12N4O3S2

Mass

396.44

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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

Anilide - Nitrobenzene - Aryl thioether - Nitroaromatic compound - N-arylamide - 3-pyridinecarbonitrile - Alkylarylthioether - Pyridine - Thiophene - Heteroaromatic compound - Carboxamide group - Secondary carboxylic acid amide - 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 - Organic oxoazanium - Azacycle - Sulfenyl compound - Nitrile - Thioether - Carbonitrile - Carboxylic acid derivative - Carbonyl group - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic zwitterion - Organic salt - Hydrocarbon derivative - Organic oxide - Cyanide - Organic oxygen compound - Organic nitrogen compound - 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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