Compound Identification
SMILES
[Na+].[O-]\C(NC1=CC=C(Cl)C=C1)=C(\C#N)C(=S)SCC(=O)C1=CC=CC=C1
InChIKey
InChIKey=JBHLQUZPAMFKRH-NYDCQJDFSA-M
Formula
C18H12ClN2NaO2S2
Mass
410.87
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
Benzoyl derivatives Aryl alkyl ketones Chlorobenzenes Aryl chlorides Ketene acetals Dithiocarboxylic acid esters Carbodithioic acid esters Sulfenyl compounds Organic metal halides Nitriles Organochlorides Organic zwitterions Organic sodium salts Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Alkyl-phenylketone - Benzoyl - Aryl alkyl ketone - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Dithiocarboxylic acid ester - Ketene acetal or derivatives - Carbodithioic ester - Organic metal halide - Organic alkali metal salt - Carbonitrile - Nitrile - Sulfenyl compound - Dithiocarboxylic acid or derivatives - Organochloride - Organohalogen compound - Cyanide - Organic sodium salt - Organic nitrogen compound - Organonitrogen compound - Organosulfur compound - Organic oxide - Hydrocarbon derivative - Organic zwitterion - Organic salt - 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