Structure Information
Structure

Compound Identification

SMILES

Br.[O-][N+](=O)C1=CC=C(C=C1)C(=O)CSC1=NC2=CC=CC=C2C=C1

InChIKey

InChIKey=VJDMCRQDYCTCJS-UHFFFAOYSA-N

Formula

C17H13BrN2O3S

Mass

405.27

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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 - Quinoline - Nitrobenzene - Aryl thioether - Nitroaromatic compound - Benzoyl - Aryl alkyl ketone - Alkylarylthioether - Monocyclic benzene moiety - Pyridine - Benzenoid - Heteroaromatic compound - C-nitro compound - Organic nitro compound - Azacycle - Organic oxoazanium - Organoheterocyclic compound - Thioether - Sulfenyl compound - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Hydrobromide - Organic oxide - Hydrocarbon derivative - Organic zwitterion - Organic salt - Organic nitrogen compound - Organonitrogen compound - Organosulfur compound - 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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