Structure Information
Structure

Compound Identification

SMILES

COC1=CC=C(C=C1)C1=CSC(NN=C(CC(=O)C2=CC=C(Br)C=C2)C(F)(F)F)=N1

InChIKey

InChIKey=MMPTWBDMGGAYTQ-UHFFFAOYSA-N

Formula

C20H15BrF3N3O2S

Mass

498.32

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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 - Butyrophenone - Phenoxy compound - Anisole - Methoxybenzene - Aryl alkyl ketone - Benzoyl - Phenol ether - 2,4-disubstituted 1,3-thiazole - Alkyl aryl ether - Halobenzene - Bromobenzene - Aryl bromide - Aryl halide - Benzenoid - Monocyclic benzene moiety - Heteroaromatic compound - Azole - Thiazole - Azacycle - Organoheterocyclic compound - Hydrazone - Ether - Organofluoride - Organonitrogen compound - Organic oxide - Organic nitrogen compound - Hydrocarbon derivative - Organobromide - Organohalogen compound - Alkyl fluoride - Alkyl halide - 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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