Structure Information
Structure

Compound Identification

SMILES

CC(C)N(C(=O)[C@@H](C#N)C(=O)c1ccc(cc1)C#N)c1ccc2[nH]c(=S)sc2c1

InChIKey

InChIKey=ZOJRSNSAARSCNB-INIZCTEOSA-N

Formula

C21H16N4O2S2

Mass

420.51

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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 - 1,3-benzothiazole - Benzonitrile - Benzoyl - Aryl alkyl ketone - Monocyclic benzene moiety - Benzenoid - 1,3-dicarbonyl compound - Azole - Heteroaromatic compound - Tertiary carboxylic acid amide - Thiazole - Carboxamide group - Nitrile - Carbonitrile - Carboxylic acid derivative - Azacycle - Organoheterocyclic compound - Organosulfur compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Cyanide - 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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