Structure Information
Structure

Compound Identification

SMILES

O[Cl](=O)(=O)=O.BrC1=CC=C(C=C1)C(=O)CSC1=NC=CN1

InChIKey

InChIKey=GMSKWVIUNWXWIY-UHFFFAOYSA-N

Formula

C11H10BrClN2O5S

Mass

397.62

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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 - Alkylarylthioether - Bromobenzene - Halobenzene - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Benzenoid - Organic perchlorate - Azole - Heteroaromatic compound - Imidazole - Organic chlorate - Azacycle - Organoheterocyclic compound - Sulfenyl compound - Thioether - Hydrocarbon derivative - Organic oxide - Organic nitrogen compound - Organosulfur compound - Organonitrogen compound - Organohalogen compound - Organobromide - 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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