You are using an unsupported browser. Please upgrade your browser to a newer version to get the best experience on ClassyFire.
Structure Information
Structure

Compound Identification

SMILES

Br.COC1=C(OC)C=C(C=C1)C(=O)CN(C1=NCCCS1)C1=CC=C(C)C=C1

InChIKey

InChIKey=CLKXIFYVVNRDSW-UHFFFAOYSA-N

Formula

C21H25BrN2O3S

Mass

465.41

Export to:

JSON SDF CSV

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 - Dimethoxybenzene - O-dimethoxybenzene - Phenol ether - Aryl alkyl ketone - Benzoyl - Aniline or substituted anilines - Phenoxy compound - Methoxybenzene - Anisole - Toluene - Alkyl aryl ether - Meta-thiazine - Benzenoid - Monocyclic benzene moiety - Isothiourea - Tertiary amine - Azacycle - Ether - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Hydrobromide - Organic nitrogen compound - Organic oxide - Amine - Organonitrogen compound - Hydrocarbon derivative - 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

Previous Back Next