Compound Identification
SMILES
[Ba++].O=[C-]N1C(CSC1C1=CC=CC=C1)[CH-]CC(=O)C1=CC=CC=C1
InChIKey
InChIKey=NTBZUZWFIGJMKG-UHFFFAOYSA-N
Formula
C19H17BaNO2S
Mass
460.74
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
Butyrophenones Benzoyl derivatives Aryl alkyl ketones Thiazolidines Tertiary amines Dialkylthioethers Azacyclic compounds Organic zwitterions Organic salts Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Alkyl-phenylketone - Butyrophenone - Benzoyl - Aryl alkyl ketone - Monocyclic benzene moiety - Benzenoid - Thiazolidine - Tertiary amine - Azacycle - Organoheterocyclic compound - Thioether - Dialkylthioether - Amine - Organonitrogen compound - Hydrocarbon derivative - Organic nitrogen compound - Organic zwitterion - Organic salt - Organic oxide - 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