Structure Information
Structure

Compound Identification

SMILES

CN=C(NNC1=C2C=CC=CC2=NC1=O)SCC(=O)C1=CC=C(Br)C=C1

InChIKey

InChIKey=GCZBQYUJKVYDKP-UHFFFAOYSA-N

Formula

C18H15BrN4O2S

Mass

431.31

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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 - Alpha-amino acid or derivatives - Indole or derivatives - Benzoyl - Aryl alkyl ketone - Bromobenzene - Halobenzene - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Benzenoid - N-acylimine - Azacycle - Organoheterocyclic compound - Organic 1,3-dipolar compound - Carboxylic acid derivative - Propargyl-type 1,3-dipolar organic compound - Sulfenyl compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Imine - Organohalogen compound - Organobromide - 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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