Compound Identification
SMILES
NC1=C(SC(SCC(=O)C2=CC=CC=C2)=C1C#N)C(=O)C1=C2C=CC=NC2=C(O)C=C1
InChIKey
InChIKey=XNOVVAUSEJJJKJ-UHFFFAOYSA-N
Formula
C23H15N3O3S2
Mass
445.51
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
8-hydroxyquinolines Hydroxyquinolines Thiophene carboxylic acids and derivatives Benzoyl derivatives Aryl alkyl ketones 1-hydroxy-2-unsubstituted benzenoids Alkylarylthioethers Pyridines and derivatives Aminothiophenes Vinylogous amides Heteroaromatic compounds Sulfenyl compounds Nitriles Azacyclic compounds Hydrocarbon derivatives Organic oxides Primary amines
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Alkyl-phenylketone - 8-hydroxyquinoline - Hydroxyquinoline - Quinoline - Thiophene carboxylic acid or derivatives - Aryl alkyl ketone - Aryl thioether - Benzoyl - Phenol - 1-hydroxy-2-unsubstituted benzenoid - Alkylarylthioether - Pyridine - Aminothiophene - Monocyclic benzene moiety - Benzenoid - Vinylogous amide - Thiophene - Heteroaromatic compound - Carbonitrile - Nitrile - Azacycle - Organoheterocyclic compound - Sulfenyl compound - Thioether - Organonitrogen compound - Organic nitrogen compound - Amine - Organosulfur compound - Primary amine - Cyanide - Organic oxide - Hydrocarbon derivative - Aromatic heteropolycyclic 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