Compound Identification
SMILES
[Br-].CC1=CSC(NC(=O)C2=C[N+](CC(=O)C3=CC=CC=C3)=CC=C2)=N1
InChIKey
InChIKey=CIXPPOWOBNYQAD-UHFFFAOYSA-N
Formula
C18H16BrN3O2S
Mass
418.31
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
Nicotinamides Benzoyl derivatives Aryl alkyl ketones 2,4-disubstituted thiazoles Pyridinium derivatives Vinylogous amides Heteroaromatic compounds Secondary carboxylic acid amides Azacyclic compounds Organonitrogen compounds Organic zwitterions Organic oxides Organic bromide salts Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Alkyl-phenylketone - Nicotinamide - Pyridine carboxylic acid or derivatives - Benzoyl - Aryl alkyl ketone - 2,4-disubstituted 1,3-thiazole - Monocyclic benzene moiety - Benzenoid - Pyridine - Pyridinium - Azole - Heteroaromatic compound - Vinylogous amide - Thiazole - Carboxamide group - Secondary carboxylic acid amide - Azacycle - Carboxylic acid derivative - Organoheterocyclic compound - Organic oxide - Organic bromide salt - Organic nitrogen compound - Hydrocarbon derivative - Organonitrogen compound - Organic salt - Organic zwitterion - 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