Compound Identification
SMILES
COC(=O)C1=C(C=CC(SC)=C1)C#N
InChIKey
InChIKey=FWKGCZVSYOPIEV-UHFFFAOYSA-N
Formula
C10H9NO2S
Mass
207.25
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
- Superclass Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Benzoic acids and derivatives
Intermediate Tree Nodes
Sulfanylbenzoic acids and derivatives
Direct Parent
M-sulfanylbenzoic acids and derivatives
Alternative Parents
Benzoic acid esters Thiophenol ethers Benzoyl derivatives Benzonitriles Alkylarylthioethers Methyl esters Sulfenyl compounds Nitriles Organooxygen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Benzoate ester - M-sulfanylbenzoic acid or derivatives - Aryl thioether - Benzonitrile - Benzoyl - Thiophenol ether - Alkylarylthioether - Methyl ester - Carboxylic acid ester - Thioether - Nitrile - Carbonitrile - Carboxylic acid derivative - Sulfenyl compound - Hydrocarbon derivative - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic oxide - Cyanide - Organic oxygen compound - Organic nitrogen compound - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as m-sulfanylbenzoic acids and derivatives. These are benzoic acids (or derivatives) which bear a sulfanyl group (R-SH) attached to the benzene ring at positions 1 and 3, respectively.
External Descriptors
Not available