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CHEBI:193118 - (S)-fluoxytioconazole (thione)

ChEBI IDCHEBI:193118
ChEBI Name(S)-fluoxytioconazole (thione)
Stars
ASCII Name(S)-fluoxytioconazole (thione)
DefinitionThe (S)-enantiomer of fluoxytioconazole (thione).
Last Modified13 September 2022
SubmitterAdnan
DownloadsMolfile
FormulaC23H15F4N5O2S
Net Charge0
Average Mass501.465
Monoisotopic Mass501.08826
SMILESN#Cc1ccc(Oc2ccc(C(F)(F)[C@@](O)(Cn3ncnc3=S)c3ccc(F)cc3F)nc2)cc1
InChIInChI=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-/m1/s1
InChIKeyKZOZKFJGERLOJN-JOCHJYFZSA-N
ChEBI Ontology
Outgoing Relation(s)
(S)-fluoxytioconazole (thione) (CHEBI:193118) is a 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)
(S)-fluoxytioconazole (thione) (CHEBI:193118) is enantiomer of (R)-fluoxytioconazole (thione) (CHEBI:193116)
(S)-fluoxytioconazole (thione) (CHEBI:193118) is tautomer of (S)-fluoxytioconazole (thiol) (CHEBI:193120)
Incoming Relation(s)
fluoxytioconazole (thione) (CHEBI:192259) has part (S)-fluoxytioconazole (thione) (CHEBI:193118)
(R)-fluoxytioconazole (thione) (CHEBI:193116) is enantiomer of (S)-fluoxytioconazole (thione) (CHEBI:193118)
(S)-fluoxytioconazole (thiol) (CHEBI:193120) is tautomer of (S)-fluoxytioconazole (thione) (CHEBI:193118)
IUPAC Name 
4-({6-[(2S)-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