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

Systemtic Name: (2R,3R)-2-[2,4-bis(fluoranyl)phenyl]-3-[[2-[(1E,3E)-4-(4-methylsulfanylphenyl)buta-1,3-dienyl]-1,3-dioxan-5-yl]sulfanyl]-1-(1,2,4-triazol-1-yl)butan-2-ol Openeye Name: (2R,3R)-2-(2,4-difluorophenyl)-3-[[2-[(1E,3E)-4-(4-methylsulfanylphenyl)buta-1,3-dienyl]-1,3-dioxan-5-yl]sulfanyl]-1-(1,2,4-triazol-1-yl)butan-2-ol CAS Name: (2R,3R)-2-(2,4-difluorophenyl)-3-[[2-[(1E,3E)-4-[4-(methylthio)phenyl]buta-1,3-dienyl]-1,3-dioxan-5-yl]thio]-1-(1,2,4-triazol-1-yl)-2-butanol IUPAC Name: (2R,3R)-2-(2,4-difluorophenyl)-3-[[2-[(1E,3E)-4-(4-methylsulfanylphenyl)buta-1,3-dienyl]-1,3-dioxan-5-yl]sulfanyl]-1-(1,2,4-triazol-1-yl)butan-2-ol Traditional Name: (2R,3R)-2-(2,4-difluorophenyl)-3-[[2-[(1E,3E)-4-[4-(methylthio)phenyl]buta-1,3-dienyl]-1,3-dioxan-5-yl]thio]-1-(1,2,4-triazol-1-yl)butan-2-ol Formula: C27H29F2N3O3S2 MolecularWeight: 545.664266

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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=CC=CC4=CC=C(C=C4)SC

Isomeric SMILES

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

InChI

InChI=1S/C27H29F2N3O3S2/c1-19(27(33,16-32-18-30-17-31-32)24-12-9-21(28)13-25(24)29)37-23-14-34-26(35-15-23)6-4-3-5-20-7-10-22(36-2)11-8-20/h3-13,17-19,23,26,33H,14-16H2,1-2H3/b5-3+,6-4+/t19-,23?,26?,27-/m1/s1