Compound Identification
SMILES
[O-][N+](=O)C1=CC=C(C=C1)C(=O)[C@H](C(=S)NCC1=CC=C(F)C=C1)[N+]1=CC=CC=C1
InChIKey
InChIKey=RNKMJOCNHUNNAM-LJQANCHMSA-O
Formula
C21H17FN3O3S
Mass
410.44
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
-
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
Nitrobenzenes Aryl alkyl ketones Benzoyl derivatives Nitroaromatic compounds Fluorobenzenes Pyridinium derivatives Aryl fluorides Thioamides Heteroaromatic compounds Thiocarboxylic acid amides Azacyclic compounds Organic oxoazanium compounds Thiocarbonyl compounds Hydrocarbon derivatives Organic oxides Organic salts Organofluorides Organonitrogen compounds Organic cations
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Alkyl-phenylketone - Nitrobenzene - Nitroaromatic compound - Benzoyl - Aryl alkyl ketone - Fluorobenzene - Halobenzene - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Pyridine - Benzenoid - Pyridinium - Heteroaromatic compound - Thioamide - Organic nitro compound - C-nitro compound - Thiocarboxylic acid amide - Azacycle - Organoheterocyclic compound - Organic oxoazanium - Organic nitrogen compound - Thiocarbonyl group - Organofluoride - Organohalogen compound - Organonitrogen compound - Organosulfur compound - Organic salt - Hydrocarbon derivative - Organic oxide - Organic cation - 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