Structure Information
Structure

Compound Identification

SMILES

CCN1C(=O)C(SC1=NC1=CC=CC=C1)=CC1=CC(OC)=C(OCC2=CC=CC=C2C#N)C=C1

InChIKey

InChIKey=QYTAMAVRBPCAEG-UHFFFAOYSA-N

Formula

C27H23N3O3S

Mass

469.56

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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

Phenoxy compound - Anisole - Benzonitrile - Phenol ether - Methoxybenzene - Alkyl aryl ether - Thiazolidine - Isothiourea - Carboxylic acid derivative - Ether - Carbonitrile - Nitrile - Azacycle - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organoheterocyclic compound - Cyanide - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Carbonyl group - Organic nitrogen compound - Organic oxygen compound - Organic oxide - 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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