Structure Information
Structure

Compound Identification

SMILES

CC(=O)C1=CC=C(NC(=O)CSC2=NN=C3N(N)C=NN23)C=C1

InChIKey

InChIKey=RCKJAMFBJBIVCT-UHFFFAOYSA-N

Formula

C13H13N7O2S

Mass

331.35

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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 heteropolycyclic compounds

Substituents

Alkyl-phenylketone - Acetophenone - Anilide - Aryl thioether - Benzoyl - Aryl alkyl ketone - N-arylamide - Alkylarylthioether - Monocyclic benzene moiety - Benzenoid - Azole - Heteroaromatic compound - 1,2,4-triazole - Carboxamide group - Secondary carboxylic acid amide - Azacycle - Carboxylic acid derivative - Organoheterocyclic compound - Thioether - Sulfenyl compound - Organic nitrogen compound - Organonitrogen compound - Organosulfur compound - Organopnictogen compound - Organic oxide - 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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