Structure Information
Structure

Compound Identification

SMILES

BrC1=CC=CC(=C1)C(=O)NN1C(=O)C2=C(C=CS2)N=C1SCC(=O)C1=CC=CC=C1

InChIKey

InChIKey=LRZLVZKQYDIJBA-UHFFFAOYSA-N

Formula

C21H14BrN3O3S2

Mass

500.39

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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 - 3-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - Benzoic acid or derivatives - Thienopyrimidine - Aryl thioether - Benzoyl - Aryl alkyl ketone - Bromobenzene - Halobenzene - Pyrimidone - Alkylarylthioether - Monocyclic benzene moiety - Aryl halide - Pyrimidine - Benzenoid - Aryl bromide - Heteroaromatic compound - Thiophene - Lactam - Azacycle - Thioether - Organoheterocyclic compound - Sulfenyl compound - Carboxylic acid derivative - Hydrocarbon derivative - Organohalogen compound - Organic oxide - Organic nitrogen 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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