Compound Identification
SMILES
COC1=CC=C(CN=C([S-])[C@@H](C(=O)C2=CC=C(F)C=C2)[N+]2=CC=CC(C)=C2)C=C1
InChIKey
InChIKey=VVOYMGTXHZIEQL-OAQYLSRUSA-N
Formula
C23H21FN2O2S
Mass
408.49
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
Anisoles Aryl alkyl ketones Benzoyl derivatives Methoxybenzenes Phenoxy compounds Methylpyridines Fluorobenzenes Alkyl aryl ethers Aryl fluorides Pyridinium derivatives Heteroaromatic compounds Imidothioic acids and derivatives Azacyclic compounds Propargyl-type 1,3-dipolar organic compounds Organofluorides Organic zwitterions Organic salts Organic oxides Hydrocarbon derivatives Organonitrogen compounds Organosulfur compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Alkyl-phenylketone - Anisole - Phenoxy compound - Benzoyl - Phenol ether - Aryl alkyl ketone - Methoxybenzene - Alkyl aryl ether - Fluorobenzene - Halobenzene - Methylpyridine - Aryl halide - Monocyclic benzene moiety - Aryl fluoride - Pyridine - Pyridinium - Benzenoid - Heteroaromatic compound - Organic 1,3-dipolar compound - Organoheterocyclic compound - Propargyl-type 1,3-dipolar organic compound - Azacycle - Ether - Imidothioic acid or derivatives - Hydrocarbon derivative - Organic nitrogen compound - Organohalogen compound - Organic oxide - Organofluoride - Organic zwitterion - Organonitrogen compound - Organosulfur compound - Organic salt - 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