Structure Information
Structure

Compound Identification

SMILES

CCN1C(CNC(=O)C2=CC=CC=C2Cl)=NN=C1SCC(=O)C1=CC=C(OC)C=C1

InChIKey

InChIKey=GQMCPCRLNGQCJB-UHFFFAOYSA-N

Formula

C21H21ClN4O3S

Mass

444.93

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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 heteromonocyclic compounds

Substituents

Alkyl-phenylketone - 2-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - Benzoic acid or derivatives - Benzamide - Phenoxy compound - Aryl thioether - Anisole - Benzoyl - Methoxybenzene - Phenol ether - Aryl alkyl ketone - Alkyl aryl ether - Halobenzene - Chlorobenzene - Alkylarylthioether - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Vinylogous halide - Heteroaromatic compound - 1,2,4-triazole - Azole - Secondary carboxylic acid amide - Carboxamide group - Ether - Carboxylic acid derivative - Thioether - Sulfenyl compound - Organoheterocyclic compound - Azacycle - Organonitrogen compound - Organic oxide - Organosulfur compound - Organic nitrogen compound - Hydrocarbon derivative - Organochloride - Organohalogen compound - Aromatic heteromonocyclic 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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