Compound Identification
SMILES
CCCC1=C(CSC2=CC=C(C=C2)C#N)C=CC(C(C)=O)=C1O
InChIKey
InChIKey=KRIBKJPELHLIHY-UHFFFAOYSA-N
Formula
C19H19NO2S
Mass
325.43
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
Phenylpropanes Acetophenones Thiophenol ethers Benzoyl derivatives Benzonitriles Aryl alkyl ketones Alkylarylthioethers 1-hydroxy-4-unsubstituted benzenoids Vinylogous acids Sulfenyl compounds Nitriles Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Alkyl-phenylketone - Acetophenone - Phenylpropane - Aryl thioether - Benzonitrile - Benzoyl - Aryl alkyl ketone - Thiophenol ether - 1-hydroxy-4-unsubstituted benzenoid - Alkylarylthioether - Phenol - Monocyclic benzene moiety - Benzenoid - Vinylogous acid - Carbonitrile - Nitrile - Sulfenyl compound - Thioether - Organic nitrogen compound - Hydrocarbon derivative - Organonitrogen compound - Organosulfur compound - Cyanide - Organic oxide - Aromatic homomonocyclic 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