CHEBI:193119 - (R)-fluoxytioconazole (thiol)

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ChEBI Name (R)-fluoxytioconazole (thiol)
ChEBI ID CHEBI:193119
ChEBI ASCII Name (R)-fluoxytioconazole (thiol)
Definition The (R)-enantiomer of fluoxytioconazole (thiol).
Stars This entity has been manually annotated by the ChEBI Team.
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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)/t22-/m0/s1
InChIKey KZOZKFJGERLOJN-QFIPXVFZSA-N
SMILES O[C@@](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 (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)
(R)-fluoxytioconazole (thiol) (CHEBI:193119) is enantiomer of (S)-fluoxytioconazole (thiol) (CHEBI:193120)
(R)-fluoxytioconazole (thiol) (CHEBI:193119) is tautomer of (R)-fluoxytioconazole (thione) (CHEBI:193116)
Incoming fluoxytioconazole (thiol) (CHEBI:192258) has part (R)-fluoxytioconazole (thiol) (CHEBI:193119)
(S)-fluoxytioconazole (thiol) (CHEBI:193120) is enantiomer of (R)-fluoxytioconazole (thiol) (CHEBI:193119)
(R)-fluoxytioconazole (thione) (CHEBI:193116) is tautomer of (R)-fluoxytioconazole (thiol) (CHEBI:193119)
IUPAC Name
4-({6-[(2R)-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