Compound Identification
SMILES
CC(=O)C1=CC(C)=C(N2C(=O)NCC3=C2C=CC(SC2=CC=C(F)C=C2)=N3)C(Cl)=C1
InChIKey
InChIKey=XQIXHDFCFSVXAS-UHFFFAOYSA-N
Formula
C22H17ClFN3O2S
Mass
441.91
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organic oxygen compounds
-
Class
Organooxygen compounds
-
Subclass
Carbonyl compounds
-
Level 5
Ketones
-
Level 6
Aryl ketones
-
Level 7
Phenylketones
- Level 8 Alkyl-phenylketones
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Level 7
Phenylketones
-
Level 6
Aryl ketones
-
Level 5
Ketones
-
Subclass
Carbonyl compounds
-
Class
Organooxygen compounds
-
Superclass
Organic oxygen compounds
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
Diarylthioethers Pyridopyrimidines Acetophenones Aryl alkyl ketones Thiophenol ethers Benzoyl derivatives Toluenes Chlorobenzenes Fluorobenzenes Pyrimidones Aryl chlorides Pyridines and derivatives Aryl fluorides Heteroaromatic compounds Ureas Tertiary amines Sulfenyl compounds Azacyclic compounds Organic oxides Hydrocarbon derivatives Organochlorides Organofluorides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Alkyl-phenylketone - Diarylthioether - Pyridopyrimidine - Acetophenone - Aryl thioether - Benzoyl - Thiophenol ether - Aryl alkyl ketone - Chlorobenzene - Fluorobenzene - Halobenzene - Pyrimidone - Toluene - Benzenoid - Aryl halide - Monocyclic benzene moiety - Pyridine - Pyrimidine - Aryl chloride - Aryl fluoride - Heteroaromatic compound - Urea - Tertiary amine - Sulfenyl compound - Organoheterocyclic compound - Thioether - Azacycle - Organosulfur compound - Amine - Organic nitrogen compound - Organic oxide - Hydrocarbon derivative - Organohalogen compound - Organochloride - Organofluoride - Organonitrogen 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