Compound Identification
SMILES
NCCSC(C[N+]([O-])=O)C1=CC=C(C=C1)C#N
InChIKey
InChIKey=COBHNTGZTGIPDF-UHFFFAOYSA-N
Formula
C11H13N3O2S
Mass
251.3
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
C-nitro compounds Sulfenyl compounds Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Nitriles Dialkylthioethers Organic zwitterions Organic salts Organic oxides Monoalkylamines Hydrocarbon derivatives
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Benzonitrile - C-nitro compound - Organic nitro compound - Carbonitrile - Nitrile - Organic oxoazanium - Thioether - Sulfenyl compound - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Dialkylthioether - Amine - Primary aliphatic amine - Primary amine - Organosulfur compound - Organic zwitterion - Organic oxygen compound - Organic nitrogen compound - Organonitrogen compound - Organic salt - Cyanide - Hydrocarbon derivative - Organic oxide - 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