Compound Identification
SMILES
OC(C#N)(C#N)C(SC#N)C1=CC=CC=C1
InChIKey
InChIKey=ZLDMHBVYLAAAPU-UHFFFAOYSA-N
Formula
C11H7N3OS
Mass
229.26
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
- Superclass Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Benzene and substituted derivatives
Alternative Parents
Tertiary alcohols Cyanohydrins Alpha-hydroxynitriles Thiocyanates Sulfenyl compounds Hydrocarbon derivatives
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Monocyclic benzene moiety - Tertiary alcohol - Cyanohydrin - Alpha-hydroxynitrile - Carbonitrile - Nitrile - Sulfenyl compound - Thiocyanate - Alcohol - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Cyanide - Organic oxygen compound - Organic nitrogen compound - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as benzene and substituted derivatives. These are aromatic compounds containing one monocyclic ring system consisting of benzene.
External Descriptors
Not available