Structure Information
Structure

Compound Identification

SMILES

COCCN1C(SCC(=O)C2=CC=CC=C2)=NNC1=C1C=NC2=CC=CC=C12

InChIKey

InChIKey=ZFZJQZZJZKDLBY-UHFFFAOYSA-N

Formula

C21H20N4O2S

Mass

392.48

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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 - Indole or derivatives - Benzoyl - Aryl alkyl ketone - Monocyclic benzene moiety - Benzenoid - Triazoline - Ketene acetal or derivatives - Dialkyl ether - Ether - Hydrazone - Azacycle - Sulfenyl compound - Organoheterocyclic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organonitrogen compound - Organosulfur compound - Organic nitrogen compound - Organic oxide - Imine - Hydrocarbon derivative - 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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