Structure Information
Structure

Compound Identification

SMILES

CC(=O)NCCC1=NN=C(SCC(=O)C2=CC=C(I)C=C2)N1C1=CC=C(Cl)C=C1

InChIKey

InChIKey=MMKCQRVAXNVXKK-UHFFFAOYSA-N

Formula

C20H18ClIN4O2S

Mass

540.8

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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 - N-acetyl-2-arylethylamine - Phenyl-1,2,4-triazole - Phenyltriazole - Aryl thioether - Benzoyl - Aryl alkyl ketone - Chlorobenzene - Halobenzene - Iodobenzene - Alkylarylthioether - Aryl chloride - Aryl halide - Aryl iodide - Monocyclic benzene moiety - Benzenoid - Azole - Heteroaromatic compound - Acetamide - Triazole - 1,2,4-triazole - Secondary carboxylic acid amide - Carboxamide group - Sulfenyl compound - Thioether - Carboxylic acid derivative - Azacycle - Organoheterocyclic compound - Organic oxide - Organonitrogen compound - Organic nitrogen compound - Hydrocarbon derivative - Organopnictogen compound - Organosulfur compound - Organohalogen compound - Organochloride - Organoiodide - 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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