Compound Identification
SMILES
FC(F)SC1=CC=CC=C1C(=O)NC1=CN(CC2=CC=CC(=C2)C#N)N=C1
InChIKey
InChIKey=RQDNWSOUGRMTEG-UHFFFAOYSA-N
Formula
C19H14F2N4OS
Mass
384.4
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
O-sulfanylbenzoic acids and derivatives
Alternative Parents
Benzamides Thiophenol ethers Benzonitriles Benzoyl derivatives Alkylarylthioethers Vinylogous thioesters Pyrazoles Heteroaromatic compounds Secondary carboxylic acid amides Nitriles Sulfenyl compounds Azacyclic compounds Hydrocarbon derivatives Organooxygen compounds Alkyl fluorides Organic oxides Organofluorides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
O-sulfanylbenzoic acid or derivatives - Benzamide - Aryl thioether - Benzonitrile - Benzoyl - Thiophenol ether - Alkylarylthioether - Vinylogous thioester - Azole - Heteroaromatic compound - Pyrazole - Carboxamide group - Secondary carboxylic acid amide - Carboxylic acid derivative - Azacycle - Carbonitrile - Nitrile - Organoheterocyclic compound - Sulfenyl compound - Thioether - Organohalogen compound - Organic nitrogen compound - Alkyl halide - Alkyl fluoride - Hydrocarbon derivative - Organofluoride - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organic oxygen compound - Cyanide - Organic oxide - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as o-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 2, respectively.
External Descriptors
Not available