Structure Information
Structure

Compound Identification

SMILES

[Na+].[O-]\C(NC1=CC=C(Cl)C=C1)=C(\C#N)C(=S)SCC(=O)C1=CC=CC=C1

InChIKey

InChIKey=JBHLQUZPAMFKRH-NYDCQJDFSA-M

Formula

C18H12ClN2NaO2S2

Mass

410.87

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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 - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Dithiocarboxylic acid ester - Ketene acetal or derivatives - Carbodithioic ester - Organic metal halide - Organic alkali metal salt - Carbonitrile - Nitrile - Sulfenyl compound - Dithiocarboxylic acid or derivatives - Organochloride - Organohalogen compound - Cyanide - Organic sodium salt - Organic nitrogen compound - Organonitrogen compound - Organosulfur compound - Organic oxide - Hydrocarbon derivative - Organic zwitterion - Organic salt - 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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