Compound Identification
SMILES
CC1=NN=C(CSC2=CC=C(C=C2)C(=O)NN=CC2=CC=CC=C2C(F)(F)F)S1
InChIKey
InChIKey=WPHJNEXINKBIOY-UHFFFAOYSA-N
Formula
C19H15F3N4OS2
Mass
436.47
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
P-sulfanylbenzoic acids and derivatives
Alternative Parents
Trifluoromethylbenzenes Thiophenol ethers Benzoyl derivatives Alkylarylthioethers Thiadiazoles Heteroaromatic compounds Sulfenyl compounds Azacyclic compounds Carboxylic acids and derivatives Hydrocarbon derivatives Organooxygen compounds Alkyl fluorides Organopnictogen compounds Organic oxides Organofluorides Organonitrogen compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
P-sulfanylbenzoic acid or derivatives - Trifluoromethylbenzene - Benzoyl - Aryl thioether - Thiophenol ether - Alkylarylthioether - Azole - Thiadiazole - Heteroaromatic compound - Organoheterocyclic compound - Azacycle - Sulfenyl compound - Carboxylic acid derivative - Thioether - Hydrocarbon derivative - Alkyl halide - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Organic oxygen compound - Organopnictogen compound - Organic nitrogen compound - Alkyl fluoride - Organic oxide - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as p-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 4, respectively.
External Descriptors
Not available