Compound Identification
SMILES
O=C(CS(=O)C1=CC=CC=C1)NCCC1=CN=CN1CC1=CC=C(C=C1)C#N
InChIKey
InChIKey=VSUTXGFVHQKYLT-UHFFFAOYSA-N
Formula
C21H20N4O2S
Mass
392.48
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
- Subclass Phenyl sulfoxides
-
Class
Benzene and substituted derivatives
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Phenyl sulfoxides
Intermediate Tree Nodes
Not available
Direct Parent
Phenyl sulfoxides
Alternative Parents
Benzonitriles N-substituted imidazoles Heteroaromatic compounds Sulfoxides Secondary carboxylic acid amides Sulfinyl compounds Nitriles Azacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Phenyl sulfoxide - Benzonitrile - N-substituted imidazole - Azole - Imidazole - Heteroaromatic compound - Carboxamide group - Secondary carboxylic acid amide - Sulfoxide - Sulfinyl compound - Nitrile - Carbonitrile - Carboxylic acid derivative - Organoheterocyclic compound - Azacycle - Hydrocarbon derivative - Organic oxide - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Cyanide - Carbonyl group - Organic nitrogen compound - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as phenyl sulfoxides. These are organosulfur compounds containing a sulfoxide group substituted with a phenyl group.
External Descriptors
Not available