Compound Identification
SMILES
O=C(C1C(C#N)C(C#N)C2SC3=CC=CC=C3N12)C1=CC=CC=C1
InChIKey
InChIKey=SFLWOYGIMCMLGY-UHFFFAOYSA-N
Formula
C19H13N3OS
Mass
331.39
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
Benzothiazoles Dialkylarylamines Benzoyl derivatives Aryl alkyl ketones Alkylarylthioethers Thiazoles Pyrrolidines Nitriles Azacyclic compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Alkyl-phenylketone - Benzo-thiazole - 1,2-benzothiazole - 1,3-benzothiazole - Aryl thioether - Benzoyl - Dialkylarylamine - Aryl alkyl ketone - Alkylarylthioether - Monocyclic benzene moiety - Benzenoid - Pyrrolidine - Thiazole - Azacycle - Carbonitrile - Nitrile - Organoheterocyclic compound - Thioether - Amine - Hydrocarbon derivative - Organic nitrogen compound - Organonitrogen compound - Cyanide - Organic oxide - 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