Structure Information
Structure

Compound Identification

SMILES

CCOC(=O)C(C#N)=C1C(CCC2=CC=CC=C12)SC1=NC(C)=CC(C)=N1

InChIKey

InChIKey=RHODVPHJPBJEIQ-UHFFFAOYSA-N

Formula

C21H21N3O2S

Mass

379.48

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Benzenoids

Class

Tetralins

Subclass

Not available

Intermediate Tree Nodes

Not available

Direct Parent

Tetralins

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Tetralin - Aryl thioether - Alkylarylthioether - Pyrimidine - Enoate ester - Alpha,beta-unsaturated carboxylic ester - Heteroaromatic compound - Carboxylic acid ester - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Carbonitrile - Nitrile - Thioether - Sulfenyl compound - Azacycle - Organoheterocyclic compound - Organosulfur compound - Organooxygen compound - Organic oxygen compound - Cyanide - Carbonyl group - Organic oxide - Hydrocarbon derivative - Organic nitrogen compound - Organonitrogen compound - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as tetralins. These are polycyclic aromatic compounds containing a tetralin moiety, which consists of a benzene fused to a cyclohexane.

External Descriptors

Not available

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