Structure Information
Structure

Compound Identification

SMILES

[Br-].CC1=CSC(NC(=O)C2=C[N+](CC(=O)C3=CC=CC=C3)=CC=C2)=N1

InChIKey

InChIKey=CIXPPOWOBNYQAD-UHFFFAOYSA-N

Formula

C18H16BrN3O2S

Mass

418.31

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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 heteromonocyclic compounds

Substituents

Alkyl-phenylketone - Nicotinamide - Pyridine carboxylic acid or derivatives - Benzoyl - Aryl alkyl ketone - 2,4-disubstituted 1,3-thiazole - Monocyclic benzene moiety - Benzenoid - Pyridine - Pyridinium - Azole - Heteroaromatic compound - Vinylogous amide - Thiazole - Carboxamide group - Secondary carboxylic acid amide - Azacycle - Carboxylic acid derivative - Organoheterocyclic compound - Organic oxide - Organic bromide salt - Organic nitrogen compound - Hydrocarbon derivative - Organonitrogen compound - Organic salt - Organic zwitterion - 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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