Structure Information
Structure

Compound Identification

SMILES

COC1=C(OCC2=CC=CC=C2C#N)C=C(Br)C(=C1)C(=S)N1CCOCC1

InChIKey

InChIKey=MEMOIVMLWUARQM-UHFFFAOYSA-N

Formula

C20H19BrN2O3S

Mass

447.35

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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 - Methoxybenzene - Phenol ether - Alkyl aryl ether - Bromobenzene - Halobenzene - Aryl bromide - Aryl halide - Morpholine - Oxazinane - Thioamide - Oxacycle - Azacycle - Dialkyl ether - Ether - Organoheterocyclic compound - Thiocarboxylic acid amide - Carbonitrile - Nitrile - Organic nitrogen compound - Hydrocarbon derivative - Cyanide - Organic oxygen compound - Organohalogen compound - Organobromide - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Thiocarbonyl group - 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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