Compound Identification
SMILES
COC1=CC(O)=C(C=C1)C(=O)CSC1=NC2=CC=CC=C2N1
InChIKey
InChIKey=XMOPZUQSSMUBMU-UHFFFAOYSA-N
Formula
C16H14N2O3S
Mass
314.36
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
Methoxyphenols Benzimidazoles Anisoles Aryl alkyl ketones Benzoyl derivatives Methoxybenzenes Phenoxy compounds Alkyl aryl ethers 1-hydroxy-4-unsubstituted benzenoids Alkylarylthioethers 1-hydroxy-2-unsubstituted benzenoids Imidazoles Heteroaromatic compounds Vinylogous acids Azacyclic compounds Sulfenyl compounds Hydrocarbon derivatives Organic oxides Organonitrogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Alkyl-phenylketone - Methoxyphenol - Benzimidazole - Aryl alkyl ketone - Phenol ether - Methoxybenzene - Benzoyl - Phenoxy compound - Anisole - Aryl thioether - Alkylarylthioether - 1-hydroxy-4-unsubstituted benzenoid - Alkyl aryl ether - Phenol - 1-hydroxy-2-unsubstituted benzenoid - Benzenoid - Monocyclic benzene moiety - Azole - Heteroaromatic compound - Imidazole - Vinylogous acid - Organoheterocyclic compound - Ether - Azacycle - Sulfenyl compound - Thioether - Organonitrogen compound - Organic oxide - Hydrocarbon derivative - Organosulfur compound - Organic nitrogen compound - 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