Structure Information
Structure

Compound Identification

SMILES

CC1=CC(C(=O)[C@]2(C[C@H]3C[C@H]3[C@@H]2CSC2=NC=C3NC=NC3=N2)N=N)=C(C=C1)N1N=CC=N1

InChIKey

InChIKey=JEARXJREMUELOZ-RUEUISIXSA-N

Formula

C22H21N9OS

Mass

459.53

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 heteropolycyclic compounds

Substituents

Alkyl-phenylketone - Phenyltriazole - Phenyl-1,2,3-triazole - Purine - Imidazopyrimidine - Aryl thioether - Aryl alkyl ketone - Benzoyl - Alkylarylthioether - Toluene - Monocyclic benzene moiety - Pyrimidine - Benzenoid - 1,2,3-triazole - Triazole - Azole - Imidazole - Heteroaromatic compound - Azacycle - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Thioether - Sulfenyl compound - Organonitrogen compound - Organosulfur compound - Organic oxide - Hydrocarbon derivative - Organic nitrogen 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

Previous Back Next