Structure Information
Structure

Compound Identification

SMILES

FC1=CC=CC(NC(SCC(=O)C2=CC=C(Br)C=C2)=C(C#N)C#N)=C1

InChIKey

InChIKey=BTKMUAWRWBCOBC-UHFFFAOYSA-N

Formula

C18H11BrFN3OS

Mass

416.27

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organic oxygen compounds

Class

Organooxygen compounds

Subclass

Carbonyl compounds

Intermediate Tree Nodes

Ketones - Aryl ketones - Phenylketones

Direct Parent

Alkyl-phenylketones

Alternative Parents

Molecular Framework

Aromatic homomonocyclic compounds

Substituents

Alkyl-phenylketone - Benzoyl - Aryl alkyl ketone - Bromobenzene - Fluorobenzene - Halobenzene - Aryl bromide - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Ketene acetal or derivatives - Nitrile - Carbonitrile - Sulfenyl compound - Organobromide - Organohalogen compound - Hydrocarbon derivative - Organic oxide - Cyanide - Organic nitrogen compound - Organofluoride - Organonitrogen compound - Organosulfur compound - Aromatic homomonocyclic compound

Description

This compound belongs to the class of organic compounds known as alkyl-phenylketones. These are aromatic compounds containing a ketone substituted by one alkyl group, and a phenyl group.

External Descriptors

Not available

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