Compound Identification
SMILES
O=C(NCC[S@@](=O)C1=CC=CC=C1)[C@@H]1C[C@H]1C1=CN=CC=C1
InChIKey
InChIKey=SIMFWHWBGCTHOM-WJONJSRFSA-N
Formula
C17H18N2O2S
Mass
314.4
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
Pyridines and derivatives Cyclopropanecarboxylic acids and derivatives Heteroaromatic compounds Sulfoxides Secondary carboxylic acid amides Sulfinyl compounds Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Phenyl sulfoxide - Cyclopropanecarboxylic acid or derivatives - Pyridine - Heteroaromatic compound - Carboxamide group - Sulfoxide - Secondary carboxylic acid amide - Carboxylic acid derivative - Azacycle - Organoheterocyclic compound - Sulfinyl compound - Carbonyl group - Hydrocarbon derivative - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic oxide - Organic oxygen compound - 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