Compound Identification
SMILES
CC1=CC=C(C=C1)C(=O)CC(=O)C(=O)NC1=C(C#N)C2=C(CCCC2)S1
InChIKey
InChIKey=NBIFUNGALQJKCJ-UHFFFAOYSA-N
Formula
C20H18N2O3S
Mass
366.44
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
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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
Butyrophenones N-arylamides Benzoyl derivatives Aryl alkyl ketones Toluenes Beta-diketones Fatty amides Thiophenes Heteroaromatic compounds Secondary carboxylic acid amides Nitriles Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Alkyl-phenylketone - Butyrophenone - Benzoyl - N-arylamide - Aryl alkyl ketone - Toluene - 1,3-diketone - Fatty acyl - Benzenoid - 1,3-dicarbonyl compound - Monocyclic benzene moiety - Fatty amide - Heteroaromatic compound - Thiophene - Carboxamide group - Secondary carboxylic acid amide - Organoheterocyclic compound - Carboxylic acid derivative - Nitrile - Carbonitrile - Hydrocarbon derivative - Organonitrogen compound - Cyanide - Organic nitrogen compound - Organic oxide - 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