Structure Information
Structure

Compound Identification

SMILES

BrC1=CC=C(OCCOC(=O)C2=CC=CC=C2SC2=CC=CC=C2C#N)C=C1

InChIKey

InChIKey=ZCAFDEXRAICZEK-UHFFFAOYSA-N

Formula

C22H16BrNO3S

Mass

454.34

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organosulfur compounds

Class

Thioethers

Subclass

Aryl thioethers

Intermediate Tree Nodes

Not available

Direct Parent

Diarylthioethers

Alternative Parents

Molecular Framework

Aromatic homomonocyclic compounds

Substituents

Diarylthioether - Benzoate ester - O-sulfanylbenzoic acid or derivatives - Benzoic acid or derivatives - Phenoxy compound - Benzonitrile - Benzoyl - Thiophenol ether - Phenol ether - Alkyl aryl ether - Bromobenzene - Halobenzene - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Vinylogous thioester - Benzenoid - Carboxylic acid ester - Carbonitrile - Sulfenyl compound - Ether - Carboxylic acid derivative - Nitrile - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Cyanide - Organic oxygen compound - Organohalogen compound - Organobromide - Organonitrogen compound - Organooxygen compound - Aromatic homomonocyclic compound

Description

This compound belongs to the class of organic compounds known as diarylthioethers. These are organosulfur compounds containing a thioether group that is substituted by two aryl groups.

External Descriptors

Not available

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