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Structure Information
Structure

Compound Identification

SMILES

O=C(CCSCCC(=O)NN=CC1=CC=C(C=C1)C#N)NN=CC1=CC=C(C=C1)C#N

InChIKey

InChIKey=BWNNAWSSCIYJBW-UHFFFAOYSA-N

Formula

C22H20N6O2S

Mass

432.5

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Benzenoids

Class

Benzene and substituted derivatives

Subclass

Benzonitriles

Intermediate Tree Nodes

Not available

Direct Parent

Benzonitriles

Alternative Parents

Molecular Framework

Aromatic homomonocyclic compounds

Substituents

Benzonitrile - Carboxylic acid derivative - Carbonitrile - Nitrile - Thioether - Dialkylthioether - Sulfenyl compound - Organic nitrogen compound - Hydrocarbon derivative - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic oxide - Cyanide - Organic oxygen compound - Carbonyl group - Aromatic homomonocyclic compound

Description

This compound belongs to the class of organic compounds known as benzonitriles. These are organic compounds containing a benzene bearing a nitrile substituent.

External Descriptors

Not available

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