Structure Information
Structure

Compound Identification

SMILES

CC(C)(SC1=CC=CC=C1C#N)C1OCC(C\C=C/CCC(O)=O)C(O1)C1=CN=CC=C1

InChIKey

InChIKey=YPCAROPSCQCKPX-ARJAWSKDSA-N

Formula

C25H28N2O4S

Mass

452.57

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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 heteromonocyclic compounds

Substituents

Aryl thioether - Benzonitrile - Thiophenol ether - Medium-chain fatty acid - Heterocyclic fatty acid - Alkylarylthioether - Meta-dioxane - Pyridine - Unsaturated fatty acid - Fatty acyl - Fatty acid - Heteroaromatic compound - Acetal - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Carbonitrile - Nitrile - Thioether - Oxacycle - Sulfenyl compound - Azacycle - Organoheterocyclic compound - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Cyanide - Organic oxide - Hydrocarbon derivative - Organopnictogen compound - Organic oxygen compound - Carbonyl group - Organic nitrogen compound - Aromatic heteromonocyclic 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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