Compound Identification
SMILES
[O-][N+](=O)C1=CC=C(S1)C=NC1=CC=C(CC#N)C=C1
InChIKey
InChIKey=WDXAAVLVYMRZET-UHFFFAOYSA-N
Formula
C13H9N3O2S
Mass
271.29
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
- Subclass Benzyl cyanides
-
Class
Benzene and substituted derivatives
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Benzyl cyanides
Intermediate Tree Nodes
Not available
Direct Parent
Benzyl cyanides
Alternative Parents
2-nitrothiophenes Nitroaromatic compounds 2,5-disubstituted thiophenes Heteroaromatic compounds Shiff bases Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Nitriles Organic zwitterions Organic salts Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Benzyl-cyanide - 2-nitrothiophene - Nitrothiophene - Nitroaromatic compound - 2,5-disubstituted thiophene - Thiophene - Heteroaromatic compound - C-nitro compound - Shiff base - Organic nitro compound - Aldimine - Carbonitrile - Nitrile - Organic oxoazanium - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organoheterocyclic compound - Cyanide - Organonitrogen compound - Organic oxide - Hydrocarbon derivative - Organic zwitterion - Organic nitrogen compound - Organic oxygen compound - Organic salt - Imine - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as benzyl cyanides. These are organic compounds containing an acetonitrile with one hydrogen replaced by a phenyl group.
External Descriptors
Not available