Structure Information
Structure

Compound Identification

SMILES

CC(=O)C1=CC=C(NC(=O)CSC2=NC3=C(N=NC4=CC=CC=C34)C(C3=CC=C(C)C=C3)=C2C#N)C=C1

InChIKey

InChIKey=QYHDNKBTRHFHTC-UHFFFAOYSA-N

Formula

C29H21N5O2S

Mass

503.58

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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 heteropolycyclic compounds

Substituents

Alkyl-phenylketone - 4-phenylpyridine - Cinnoline - Acetophenone - Anilide - Aryl thioether - Aryl alkyl ketone - N-arylamide - Benzoyl - Alkylarylthioether - Toluene - Pyridine - Benzenoid - Pyridazine - Monocyclic benzene moiety - Heteroaromatic compound - Carboxamide group - Secondary carboxylic acid amide - Carboxylic acid derivative - Azacycle - Carbonitrile - Nitrile - Organoheterocyclic compound - Sulfenyl compound - Thioether - Cyanide - Organic oxide - Organonitrogen compound - Organosulfur compound - Hydrocarbon derivative - Organic nitrogen compound - Aromatic heteropolycyclic 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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