Structure Information
Structure

Compound Identification

SMILES

CC1=C(C(=O)NCC2=CC=CO2)C(C2=CC=CO2)=C(C#N)C(SCC(=O)C2=CC=CC=C2)=N1

InChIKey

InChIKey=JIABFYTVMURUGS-UHFFFAOYSA-N

Formula

C25H19N3O4S

Mass

457.5

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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 - Pyridine carboxylic acid or derivatives - Pyridinecarboxamide - Nicotinamide - 3-pyridinecarbonitrile - Aryl alkyl ketone - Benzoyl - Aryl thioether - Methylpyridine - Alkylarylthioether - Monocyclic benzene moiety - Benzenoid - Pyridine - Furan - Heteroaromatic compound - Secondary carboxylic acid amide - Carboxamide group - Carboxylic acid derivative - Oxacycle - Carbonitrile - Nitrile - Azacycle - Organoheterocyclic compound - Sulfenyl compound - Thioether - Organic oxide - Organonitrogen compound - Organosulfur compound - Hydrocarbon derivative - Organic nitrogen compound - Organopnictogen 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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