Structure Information
Structure

Compound Identification

SMILES

COC(=O)CSC1=C(C#N)C(C(C#N)C(=O)N1)C1=CC=CC=C1C

InChIKey

InChIKey=XYPSWAAPWIMKHZ-UHFFFAOYSA-N

Formula

C17H15N3O3S

Mass

341.39

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Benzenoids

Class

Benzene and substituted derivatives

Subclass

Toluenes

Intermediate Tree Nodes

Not available

Direct Parent

Toluenes

Alternative Parents

Molecular Framework

Aromatic heteromonocyclic compounds

Substituents

Tetrahydropyridine - Toluene - Hydropyridine - Methyl ester - Carboxamide group - Carboxylic acid ester - Ketene acetal or derivatives - Lactam - Secondary carboxylic acid amide - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Carbonitrile - Nitrile - Azacycle - Organoheterocyclic compound - Sulfenyl compound - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organic oxygen compound - Cyanide - Organic oxide - Aromatic heteromonocyclic compound

Description

This compound belongs to the class of organic compounds known as toluenes. These are compounds containing a benzene ring which bears a methane group.

External Descriptors

Not available

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