Compound Identification
SMILES
[N-]=[N+]=NC1=CC(N=[N+]=[N-])=C(C#N)C(=C1)S(=O)CC1=CC=CC=C1
InChIKey
InChIKey=PTFALCAYNDPWCW-UHFFFAOYSA-N
Formula
C14H9N7OS
Mass
323.33
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
- Subclass Benzyl sulfoxides
-
Class
Benzene and substituted derivatives
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Benzyl sulfoxides
Intermediate Tree Nodes
Not available
Direct Parent
Benzyl sulfoxides
Alternative Parents
Phenyl sulfoxides Phenylazides Benzonitriles Sulfoxides Azo imides Azo compounds Sulfinyl compounds Nitriles Organic zwitterions Organic salts Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Benzyl sulfoxide - Phenyl sulfoxide - Benzonitrile - Phenylazide - Azo compound - Azo imide - Sulfoxide - Carbonitrile - Nitrile - Sulfinyl compound - Hydrocarbon derivative - Organic oxide - Organosulfur compound - Organonitrogen compound - Organic nitrogen compound - Cyanide - Organic oxygen compound - Organic zwitterion - Organic salt - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as benzyl sulfoxides. These are organosulfur compounds that contain a sulfoxide group substituted by a benzyl group. They have the general structure RS(=O)R' ( R=benzyl, R'=organyl).
External Descriptors
Not available