Compound Identification
SMILES
CCC(CCCO)SC1=C(SC(CC)CCCO)C=C(C#N)C(=C1)C#N
InChIKey
InChIKey=XOQXGINPSGIDEX-UHFFFAOYSA-N
Formula
C20H28N2O2S2
Mass
392.58
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
- Subclass Benzonitriles
-
Class
Benzene and substituted derivatives
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Benzonitriles
Intermediate Tree Nodes
Not available
Direct Parent
Benzonitriles
Alternative Parents
Thiophenol ethers Alkylarylthioethers Sulfenyl compounds Nitriles Primary alcohols Hydrocarbon derivatives
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Benzonitrile - Aryl thioether - Thiophenol ether - Alkylarylthioether - Carbonitrile - Nitrile - Thioether - Sulfenyl compound - Organic nitrogen compound - Primary alcohol - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Alcohol - Cyanide - Hydrocarbon derivative - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as benzonitriles. These are organic compounds containing a benzene bearing a nitrile substituent.
External Descriptors
Not available