Structure Information
Structure

Compound Identification

SMILES

CC1=CC(C)=C(C=C1)C(=O)CSC1=NC(=O)C=C(N)N1

InChIKey

InChIKey=IBTIJMQQTIOALU-UHFFFAOYSA-N

Formula

C14H15N3O2S

Mass

289.35

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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 - Benzoyl - Aryl alkyl ketone - Xylene - M-xylene - Aryl thioether - Pyrimidone - Aminopyrimidine - Alkylarylthioether - Monocyclic benzene moiety - Hydropyrimidine - Pyrimidine - Benzenoid - Heteroaromatic compound - Vinylogous amide - Sulfenyl compound - Thioether - Azacycle - Organoheterocyclic compound - Amine - Primary amine - Organosulfur compound - Organonitrogen compound - Hydrocarbon derivative - Organic nitrogen compound - Organic oxide - Organopnictogen 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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