Compound Identification
SMILES
CC1=C(C=C(C=C1)C(O)CO)C1=NN=C2C=CC(SC3=C(F)C=C(F)C=C3)=CN12
InChIKey
InChIKey=NNEDPDOCESZEPU-UHFFFAOYSA-N
Formula
C21H17F2N3O2S
Mass
413.44
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organosulfur compounds
-
Class
Thioethers
-
Subclass
Aryl thioethers
- Level 5 Diarylthioethers
-
Subclass
Aryl thioethers
-
Class
Thioethers
-
Superclass
Organosulfur compounds
Kingdom
Organic compounds
Superclass
Organosulfur compounds
Class
Thioethers
Subclass
Aryl thioethers
Intermediate Tree Nodes
Not available
Direct Parent
Diarylthioethers
Alternative Parents
Phenyl-1,2,4-triazoles Triazolopyridines Thiophenol ethers Toluenes Fluorobenzenes Aryl fluorides Pyridines and derivatives Heteroaromatic compounds 1,2-diols Secondary alcohols Azacyclic compounds Sulfenyl compounds Hydrocarbon derivatives Primary alcohols Aromatic alcohols Organofluorides Organonitrogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Phenyltriazole - Phenyl-1,2,4-triazole - Diarylthioether - Triazolopyridine - Thiophenol ether - Fluorobenzene - Halobenzene - Toluene - Benzenoid - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Pyridine - Heteroaromatic compound - Azole - Triazole - 1,2,4-triazole - Secondary alcohol - 1,2-diol - Azacycle - Sulfenyl compound - Organoheterocyclic compound - Organic oxygen compound - Primary alcohol - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Alcohol - Aromatic alcohol - Hydrocarbon derivative - Organic nitrogen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as diarylthioethers. These are organosulfur compounds containing a thioether group that is substituted by two aryl groups.
External Descriptors
Not available