Compound Identification
SMILES
CC1=C(C(=O)NCC2=CC=CO2)C(C2=CC=CO2)=C(C#N)C(SCC(=O)C2=CC=CC=C2)=N1
InChIKey
InChIKey=JIABFYTVMURUGS-UHFFFAOYSA-N
Formula
C25H19N3O4S
Mass
457.5
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 3-pyridinecarbonitriles Aryl alkyl ketones Benzoyl derivatives Alkylarylthioethers Methylpyridines Heteroaromatic compounds Furans Secondary carboxylic acid amides Sulfenyl compounds Oxacyclic compounds Azacyclic compounds Nitriles Organopnictogen compounds Hydrocarbon derivatives Organic oxides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Alkyl-phenylketone - Pyridine carboxylic acid or derivatives - Pyridinecarboxamide - Nicotinamide - 3-pyridinecarbonitrile - Aryl alkyl ketone - Benzoyl - Aryl thioether - Methylpyridine - Alkylarylthioether - Monocyclic benzene moiety - Benzenoid - Pyridine - Furan - Heteroaromatic compound - Secondary carboxylic acid amide - Carboxamide group - Carboxylic acid derivative - Oxacycle - Carbonitrile - Nitrile - Azacycle - Organoheterocyclic compound - Sulfenyl compound - Thioether - Organic oxide - Organonitrogen compound - Organosulfur compound - Hydrocarbon derivative - Organic nitrogen compound - Organopnictogen compound - 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