Structure Information
Structure

Compound Identification

SMILES

COC1=C(Br)C=C(C=C1)C(=O)CSC1=NN=C(CCNC(C)=O)N1C1=CC=CC=C1

InChIKey

InChIKey=IVRNKOYLRGJCCD-UHFFFAOYSA-N

Formula

C21H21BrN4O3S

Mass

489.39

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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 heteromonocyclic compounds

Substituents

Alkyl-phenylketone - Phenyltriazole - Phenyl-1,2,4-triazole - N-acetyl-2-arylethylamine - Phenol ether - Phenoxy compound - Aryl alkyl ketone - Benzoyl - Methoxybenzene - Aryl thioether - Anisole - Bromobenzene - Halobenzene - Alkyl aryl ether - Alkylarylthioether - Benzenoid - Monocyclic benzene moiety - Aryl halide - Aryl bromide - Heteroaromatic compound - Azole - Acetamide - 1,2,4-triazole - Triazole - Carboxamide group - Secondary carboxylic acid amide - Sulfenyl compound - Ether - Carboxylic acid derivative - Organoheterocyclic compound - Azacycle - Thioether - Organonitrogen compound - Organobromide - Organohalogen compound - Organic oxide - Organosulfur compound - Hydrocarbon derivative - Organic nitrogen compound - 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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