Structure Information
Structure

Compound Identification

SMILES

COC1=C(OC)C=C(C=C1)C(=O)CSC1=NC=NC2=C1C=NN2CC1=CC=CC=C1

InChIKey

InChIKey=SEBCHSZDIIYSPJ-UHFFFAOYSA-N

Formula

C22H20N4O3S

Mass

420.49

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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 - Dimethoxybenzene - O-dimethoxybenzene - Pyrazolopyrimidine - Pyrazolo[3,4-d]pyrimidine - Phenol ether - Aryl alkyl ketone - Benzoyl - Phenoxy compound - Aryl thioether - Methoxybenzene - Anisole - Alkyl aryl ether - Alkylarylthioether - Benzenoid - Pyrimidine - Monocyclic benzene moiety - Pyrazole - Heteroaromatic compound - Azole - Azacycle - Organoheterocyclic compound - Ether - Sulfenyl compound - Thioether - 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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