Compound Identification
SMILES
CC1=C(C(=O)N2C(CSC2=C1CC1=C(C=CC=C1F)C(F)(F)F)C(=O)C1=CC=CC=C1)C1=C(F)N=CC=C1
InChIKey
InChIKey=FMRCSEUCRAWGGA-UHFFFAOYSA-N
Formula
C28H19F5N2O2S
Mass
542.52
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
Bipyridines and oligopyridines Trifluoromethylbenzenes Aryl alkyl ketones Benzoyl derivatives Pyridinones 2-halopyridines Alkylarylthioethers Methylpyridines Fluorobenzenes Aryl fluorides Heteroaromatic compounds Lactams Azacyclic compounds Hydrocarbon derivatives Organic oxides Organofluorides Alkyl fluorides Organonitrogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Alkyl-phenylketone - Bipyridine - Trifluoromethylbenzene - Benzoyl - Aryl thioether - Aryl alkyl ketone - 2-halopyridine - Fluorobenzene - Halobenzene - Pyridinone - Alkylarylthioether - Methylpyridine - Monocyclic benzene moiety - Benzenoid - Aryl fluoride - Pyridine - Aryl halide - Heteroaromatic compound - Lactam - Thioether - Azacycle - Organoheterocyclic compound - Organic oxide - Alkyl halide - Alkyl fluoride - Organic nitrogen compound - Organohalogen compound - Organofluoride - Organonitrogen compound - Hydrocarbon derivative - 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