(2R,3R)-2-[2,4-bis(fluoranyl)phenyl]-1-(1,2,4-triazol-1-yl)-3-[[2-[(E)-2-[4-(trifluoromethylsulfonyl)phenyl]ethenyl]-1,3-dioxan-5-yl]sulfanyl]butan-2-ol

Systemtic Name: (2R,3R)-2-[2,4-bis(fluoranyl)phenyl]-1-(1,2,4-triazol-1-yl)-3-[[2-[(E)-2-[4-(trifluoromethylsulfonyl)phenyl]ethenyl]-1,3-dioxan-5-yl]sulfanyl]butan-2-ol Openeye Name: (2R,3R)-2-(2,4-difluorophenyl)-1-(1,2,4-triazol-1-yl)-3-[[2-[(E)-2-[4-(trifluoromethylsulfonyl)phenyl]vinyl]-1,3-dioxan-5-yl]sulfanyl]butan-2-ol CAS Name: (2R,3R)-2-(2,4-difluorophenyl)-1-(1,2,4-triazol-1-yl)-3-[[2-[(E)-2-[4-(trifluoromethylsulfonyl)phenyl]ethenyl]-1,3-dioxan-5-yl]thio]-2-butanol IUPAC Name: (2R,3R)-2-(2,4-difluorophenyl)-1-(1,2,4-triazol-1-yl)-3-[[2-[(E)-2-[4-(trifluoromethylsulfonyl)phenyl]ethenyl]-1,3-dioxan-5-yl]sulfanyl]butan-2-ol Traditional Name: (2R,3R)-2-(2,4-difluorophenyl)-1-(1,2,4-triazol-1-yl)-3-[[2-[(E)-2-(4-triflylphenyl)vinyl]-1,3-dioxan-5-yl]thio]butan-2-ol Formula: C25H24F5N3O5S2 MolecularWeight: 605.597176

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(CN1C=NC=N1)(C2=C(C=C(C=C2)F)F)O)SC3COC(OC3)C=CC4=CC=C(C=C4)S(=O)(=O)C(F)(F)F

Isomeric SMILES

C[C@H]([C@](CN1C=NC=N1)(C2=C(C=C(C=C2)F)F)O)SC3COC(OC3)/C=C/C4=CC=C(C=C4)S(=O)(=O)C(F)(F)F

InChI

InChI=1S/C25H24F5N3O5S2/c1-16(24(34,13-33-15-31-14-32-33)21-8-5-18(26)10-22(21)27)39-19-11-37-23(38-12-19)9-4-17-2-6-20(7-3-17)40(35,36)25(28,29)30/h2-10,14-16,19,23,34H,11-13H2,1H3/b9-4+/t16-,19?,23?,24-/m1/s1