Structure Information
Structure

Compound Identification

SMILES

CC(O)=O.O=C(CSC1=NCCN1)C1=CC=CC=C1

InChIKey

InChIKey=LRKXYNPFBZOGQU-UHFFFAOYSA-N

Formula

C13H16N2O3S

Mass

280.34

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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

Not available

Substituents

Alkyl-phenylketone - Benzoyl - Aryl alkyl ketone - Monocyclic benzene moiety - Benzenoid - 2-imidazoline - Isothiourea - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Carboximidamide - Sulfenyl compound - Azacycle - Propargyl-type 1,3-dipolar organic compound - Organoheterocyclic compound - Organic 1,3-dipolar compound - Organosulfur compound - Organic nitrogen compound - Organic oxide - Hydrocarbon derivative - Organopnictogen compound - Organonitrogen 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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