Structure Information
Structure

Compound Identification

SMILES

COC1=C(OCC(=O)C2=CC=C(Cl)C=C2)C=CC(C=C(C#N)C2=NC(=CS2)C2=C(Cl)C=C(Cl)C=C2)=C1

InChIKey

InChIKey=LWTVXCMAEZNSQR-UHFFFAOYSA-N

Formula

C27H17Cl3N2O3S

Mass

555.85

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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 - Phenoxy compound - Anisole - 1,3-dichlorobenzene - Methoxybenzene - Benzoyl - Aryl alkyl ketone - Phenol ether - 2,4-disubstituted 1,3-thiazole - Alkyl aryl ether - Halobenzene - Chlorobenzene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Heteroaromatic compound - Azole - Thiazole - Azacycle - Organoheterocyclic compound - Nitrile - Ether - Carbonitrile - Organonitrogen compound - Cyanide - Organic nitrogen compound - Organochloride - Organohalogen compound - Organic oxide - Hydrocarbon derivative - 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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