Compound Identification
SMILES
O[C@H]1[C@H](SC2=CC=C(C=C2)C#N)SC[C@@H](N=[N+]=[N-])[C@@H]1O
InChIKey
InChIKey=UFFRSBMXUUZZHB-KXNHARMFSA-N
Formula
C12H12N4O2S2
Mass
308.37
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 Thianes Dithioacetals Secondary alcohols Azo imides Azo compounds 1,2-diols Sulfenyl compounds Nitriles Dialkylthioethers Organic zwitterions Organic salts Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Benzonitrile - Aryl thioether - Thiophenol ether - Alkylarylthioether - Thiane - Thioacetal - Azo compound - Azo imide - 1,2-diol - Secondary alcohol - Organoheterocyclic compound - Dialkylthioether - Sulfenyl compound - Carbonitrile - Thioether - Nitrile - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organosulfur compound - Organic oxygen compound - Organic zwitterion - Organic nitrogen compound - Cyanide - Organic salt - Alcohol - Aromatic heteromonocyclic 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