Structure Information
Structure

Compound Identification

SMILES

CC1=CC=C(C=C1)C(=O)CSC1=NC(=O)C(C)=NN1

InChIKey

InChIKey=XEXJNFMHZAVUET-UHFFFAOYSA-N

Formula

C13H13N3O2S

Mass

275.33

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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 - Aryl thioether - Benzoyl - Aryl alkyl ketone - Toluene - Alkylarylthioether - Monocyclic benzene moiety - Triazine - Benzenoid - 1,2,4-triazine - Heteroaromatic compound - Azacycle - Sulfenyl compound - Thioether - Organoheterocyclic compound - Aldehyde - Hydrocarbon derivative - Organic oxide - Organosulfur compound - Organonitrogen compound - Organopnictogen compound - Organic nitrogen 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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