Compound Identification
SMILES
CC(CC#N)C(=O)C1=CC2=C(C=C1)S(=O)C=N2
InChIKey
InChIKey=JYRHDGLWJPRKGM-UHFFFAOYSA-N
Formula
C12H10N2O2S
Mass
246.28
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
- Subclass Butyrophenones
-
Class
Benzene and substituted derivatives
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Butyrophenones
Intermediate Tree Nodes
Not available
Direct Parent
Butyrophenones
Alternative Parents
Benzothiazoles Aryl alkyl ketones Thiazoles Heteroaromatic compounds Nitriles Azacyclic compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Butyrophenone - 1,3-benzothiazole - Aryl ketone - Aryl alkyl ketone - Azole - Thiazole - Heteroaromatic compound - Ketone - Carbonitrile - Nitrile - Azacycle - Organoheterocyclic compound - Organonitrogen compound - Organic nitrogen compound - Organic oxide - Organooxygen compound - Hydrocarbon derivative - Organic oxygen compound - Cyanide - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as butyrophenones. These are compounds containing 1-phenylbutan-1-one moiety.
External Descriptors
Not available