Compound Identification
SMILES
CC(C)C1=C(SC2=CC=CC(F)=C2)N=C(N1)C(CC1=CC=CC=N1)OCCO
InChIKey
InChIKey=KNBJLZBNEKJENT-UHFFFAOYSA-N
Formula
C21H24FN3O2S
Mass
401.5
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organosulfur compounds
-
Class
Thioethers
-
Subclass
Aryl thioethers
- Level 5 Diarylthioethers
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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
Thiophenol ethers 2,4,5-trisubstituted imidazoles Fluorobenzenes Pyridines and derivatives Aryl fluorides Heteroaromatic compounds Sulfenyl compounds Dialkyl ethers Azacyclic compounds Primary alcohols Organonitrogen compounds Organofluorides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Diarylthioether - 2,4,5-trisubstituted-imidazole - Thiophenol ether - Trisubstituted imidazole - Fluorobenzene - Halobenzene - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Pyridine - Heteroaromatic compound - Azole - Imidazole - Azacycle - Organoheterocyclic compound - Dialkyl ether - Ether - Sulfenyl compound - Hydrocarbon derivative - Organic oxygen compound - Alcohol - Organic nitrogen compound - Primary alcohol - Organooxygen compound - Organohalogen compound - Organofluoride - Organonitrogen compound - Aromatic heteromonocyclic 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