Compound Identification
SMILES
COC1=CC=C(C=C1)[C@H]1[C@@H](SC(=N)C1C#N)C(=O)C1=CC=CC=C1
InChIKey
InChIKey=DZJPDKYCKCPWPQ-WOEZKJSCSA-N
Formula
C19H16N2O2S
Mass
336.41
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
Phenoxy compounds Methoxybenzenes Benzoyl derivatives Aryl alkyl ketones Anisoles Alkyl aryl ethers Imidothiolactones Thiolanes Nitriles Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Alkyl-phenylketone - Phenoxy compound - Anisole - Benzoyl - Methoxybenzene - Phenol ether - Aryl alkyl ketone - Alkyl aryl ether - Monocyclic benzene moiety - Imidothiolactone - Benzenoid - Thiolane - Ether - Carbonitrile - Nitrile - Organoheterocyclic compound - Organic nitrogen compound - Hydrocarbon derivative - Cyanide - Organonitrogen compound - 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