CHEBI:193121 - 4-({6-[2-(2,4-difluorophenyl)-1,1-difluoro-2-hydroxy-3-(5-sulfanyl-1H-1,2,4-triazol-1-yl)propyl]pyridin-3-yl}oxy)benzonitrile

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ChEBI Name 4-({6-[2-(2,4-difluorophenyl)-1,1-difluoro-2-hydroxy-3-(5-sulfanyl-1H-1,2,4-triazol-1-yl)propyl]pyridin-3-yl}oxy)benzonitrile
ChEBI ID CHEBI:193121
ChEBI ASCII Name 4-({6-[2-(2,4-difluorophenyl)-1,1-difluoro-2-hydroxy-3-(5-sulfanyl-1H-1,2,4-triazol-1-yl)propyl]pyridin-3-yl}oxy)benzonitrile
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C23H15F4N5O2S
Net Charge 0
Average Mass 501.460
Monoisotopic Mass 501.08826
InChI InChI=1S/C23H15F4N5O2S/c24-15-3-7-18(19(25)9-15)22(33,12-32-21(35)30-13-31-32)23(26,27)20-8-6-17(11-29-20)34-16-4-1-14(10-28)2-5-16/h1-9,11,13,33H,12H2,(H,30,31,35)
InChIKey KZOZKFJGERLOJN-UHFFFAOYSA-N
SMILES OC(CN1N=CN=C1S)(C1=CC=C(F)C=C1F)C(F)(F)C1=CC=C(OC2=CC=C(C=C2)C#N)C=N1
ChEBI Ontology
Outgoing 4-({6-[2-(2,4-difluorophenyl)-1,1-difluoro-2-hydroxy-3-(5-sulfanyl-1H-1,2,4-triazol-1-yl)propyl]pyridin-3-yl}oxy)benzonitrile (CHEBI:193121) is a aromatic ether (CHEBI:35618)
4-({6-[2-(2,4-difluorophenyl)-1,1-difluoro-2-hydroxy-3-(5-sulfanyl-1H-1,2,4-triazol-1-yl)propyl]pyridin-3-yl}oxy)benzonitrile (CHEBI:193121) is a difluorobenzene (CHEBI:38582)
4-({6-[2-(2,4-difluorophenyl)-1,1-difluoro-2-hydroxy-3-(5-sulfanyl-1H-1,2,4-triazol-1-yl)propyl]pyridin-3-yl}oxy)benzonitrile (CHEBI:193121) is a nitrile (CHEBI:18379)
4-({6-[2-(2,4-difluorophenyl)-1,1-difluoro-2-hydroxy-3-(5-sulfanyl-1H-1,2,4-triazol-1-yl)propyl]pyridin-3-yl}oxy)benzonitrile (CHEBI:193121) is a pyridines (CHEBI:26421)
4-({6-[2-(2,4-difluorophenyl)-1,1-difluoro-2-hydroxy-3-(5-sulfanyl-1H-1,2,4-triazol-1-yl)propyl]pyridin-3-yl}oxy)benzonitrile (CHEBI:193121) is a tertiary alcohol (CHEBI:26878)
4-({6-[2-(2,4-difluorophenyl)-1,1-difluoro-2-hydroxy-3-(5-sulfanyl-1H-1,2,4-triazol-1-yl)propyl]pyridin-3-yl}oxy)benzonitrile (CHEBI:193121) is a thiol (CHEBI:29256)
4-({6-[2-(2,4-difluorophenyl)-1,1-difluoro-2-hydroxy-3-(5-sulfanyl-1H-1,2,4-triazol-1-yl)propyl]pyridin-3-yl}oxy)benzonitrile (CHEBI:193121) is a triazoles (CHEBI:35727)
4-({6-[2-(2,4-difluorophenyl)-1,1-difluoro-2-hydroxy-3-(5-sulfanyl-1H-1,2,4-triazol-1-yl)propyl]pyridin-3-yl}oxy)benzonitrile (CHEBI:193121) is tautomer of 4-({6-[2-(2,4-difluorophenyl)-1,1-difluoro-2-hydroxy-3-(5-sulfanylidene-2,5-dihydro-1H-1,2,4-triazol-1-yl)propyl]pyridin-3-yl}oxy)benzonitrile (CHEBI:193122)
Incoming (R)-fluoxytioconazole (thiol) (CHEBI:193119) is a 4-({6-[2-(2,4-difluorophenyl)-1,1-difluoro-2-hydroxy-3-(5-sulfanyl-1H-1,2,4-triazol-1-yl)propyl]pyridin-3-yl}oxy)benzonitrile (CHEBI:193121)
(S)-fluoxytioconazole (thiol) (CHEBI:193120) is a 4-({6-[2-(2,4-difluorophenyl)-1,1-difluoro-2-hydroxy-3-(5-sulfanyl-1H-1,2,4-triazol-1-yl)propyl]pyridin-3-yl}oxy)benzonitrile (CHEBI:193121)
4-({6-[2-(2,4-difluorophenyl)-1,1-difluoro-2-hydroxy-3-(5-sulfanylidene-2,5-dihydro-1H-1,2,4-triazol-1-yl)propyl]pyridin-3-yl}oxy)benzonitrile (CHEBI:193122) is tautomer of 4-({6-[2-(2,4-difluorophenyl)-1,1-difluoro-2-hydroxy-3-(5-sulfanyl-1H-1,2,4-triazol-1-yl)propyl]pyridin-3-yl}oxy)benzonitrile (CHEBI:193121)
IUPAC Name
4-({6-[2-(2,4-difluorophenyl)-1,1-difluoro-2-hydroxy-3-(5-sulfanyl-1H-1,2,4-triazol-1-yl)propyl]pyridin-3-yl}oxy)benzonitrile
Last Modified
13 September 2022
General Comment
2022-09-13 This is the entry for material with unspecified stereochemistry. There are separate entries for the racemate (fluoxytioconazole (thiol)) and its individual enantiomers.