Structure Information
Structure

Compound Identification

SMILES

CC(=O)C1=CC=C(NC(=O)CSC2=C(C#N)C(=CC(=N2)C2=CC=C(C)C=C2)C2=CC=C(Cl)C=C2)C=C1

InChIKey

InChIKey=GTLDNXPDIRUDKS-UHFFFAOYSA-N

Formula

C29H22ClN3O2S

Mass

512.02

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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-phenylpyridine - 4-phenylpyridine - Acetophenone - Anilide - Aryl thioether - Benzoyl - N-arylamide - Aryl alkyl ketone - 3-pyridinecarbonitrile - Chlorobenzene - Halobenzene - Toluene - Alkylarylthioether - Aryl halide - Aryl chloride - Benzenoid - Monocyclic benzene moiety - Pyridine - Heteroaromatic compound - Secondary carboxylic acid amide - Carboxamide group - Nitrile - Carbonitrile - Carboxylic acid derivative - Sulfenyl compound - Organoheterocyclic compound - Thioether - Azacycle - Organosulfur compound - Organonitrogen compound - Organochloride - Organohalogen compound - Organic nitrogen compound - Cyanide - 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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