Compound Identification
SMILES
CNCC1=CC=C(C=C1)C(=N)OC(=N)C1=NC(=CN=C1N)C1=CC=C(C=C1)S(=O)CCCO
InChIKey
InChIKey=VFFWDSBKPKJCKZ-UHFFFAOYSA-N
Formula
C23H26N6O3S
Mass
466.56
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
Phenylmethylamines Benzylamines Aralkylamines Aminopyrazines Imidolactams Heteroaromatic compounds Sulfoxides Sulfinyl compounds Dialkylamines Carboximidic acids and derivatives Azacyclic compounds Primary amines Primary alcohols Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Phenyl sulfoxide - Benzylamine - Phenylmethylamine - Aminopyrazine - Aralkylamine - Pyrazine - Imidolactam - Heteroaromatic compound - Sulfoxide - Azacycle - Carboximidic acid derivative - Secondary aliphatic amine - Secondary amine - Organoheterocyclic compound - Sulfinyl compound - Primary alcohol - Organic oxide - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Primary amine - Alcohol - Organic oxygen compound - Hydrocarbon derivative - Amine - 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