Structure Information
Structure

Compound Identification

SMILES

COC1=C(OCC2=CC=CC=C2C#N)C=CC(C=C2SC(=O)N(CC#C)C2=O)=C1

InChIKey

InChIKey=FSLRNNBBCBMBQM-UHFFFAOYSA-N

Formula

C22H16N2O4S

Mass

404.44

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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 - Methoxybenzene - Phenol ether - Benzonitrile - Anisole - Thiazolidinedione - Alkyl aryl ether - N-acyl-amine - Thiazolidine - Dicarboximide - Thiocarbamic acid derivative - Carbonic acid derivative - Haloacetylene or derivatives - Acetylide - Azacycle - Organoheterocyclic compound - Sulfenyl compound - Nitrile - Carbonitrile - Ether - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organosulfur compound - Organooxygen compound - Organonitrogen 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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