Compound Identification
SMILES
COC1=CC=C(C=C1)S(=O)C1=CC=CC(N)=C1C#N
InChIKey
InChIKey=AATAIRNDADQFCI-UHFFFAOYSA-N
Formula
C14H12N2O2S
Mass
272.32
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
Phenoxy compounds Methoxybenzenes Benzonitriles Anisoles Aniline and substituted anilines Alkyl aryl ethers Sulfoxides Sulfinyl compounds Nitriles Primary amines Organopnictogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Phenyl sulfoxide - Phenoxy compound - Anisole - Benzonitrile - Methoxybenzene - Aniline or substituted anilines - Phenol ether - Alkyl aryl ether - Sulfoxide - Ether - Carbonitrile - Sulfinyl compound - Nitrile - Organic nitrogen compound - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Primary amine - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Amine - Aromatic homomonocyclic 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