7-[3-[2,4-bis(fluoranyl)phenyl]-2-methyl-3-oxidanyl-4-(1,2,4-triazol-1-yl)butan-2-yl]sulfanylheptan-1-ol

Systemtic Name: 7-[3-[2,4-bis(fluoranyl)phenyl]-2-methyl-3-oxidanyl-4-(1,2,4-triazol-1-yl)butan-2-yl]sulfanylheptan-1-ol Openeye Name: 7-[2-(2,4-difluorophenyl)-2-hydroxy-1,1-dimethyl-3-(1,2,4-triazol-1-yl)propyl]sulfanylheptan-1-ol CAS Name: 7-[[3-(2,4-difluorophenyl)-3-hydroxy-2-methyl-4-(1,2,4-triazol-1-yl)butan-2-yl]thio]-1-heptanol IUPAC Name: 7-[3-(2,4-difluorophenyl)-3-hydroxy-2-methyl-4-(1,2,4-triazol-1-yl)butan-2-yl]sulfanylheptan-1-ol Traditional Name: 7-[[2-(2,4-difluorophenyl)-2-hydroxy-1,1-dimethyl-3-(1,2,4-triazol-1-yl)propyl]thio]heptan-1-ol Formula: C20H29F2N3O2S MolecularWeight: 413.524966

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(CN1C=NC=N1)(C2=C(C=C(C=C2)F)F)O)SCCCCCCCO

Isomeric SMILES

CC(C)(C(CN1C=NC=N1)(C2=C(C=C(C=C2)F)F)O)SCCCCCCCO

InChI

InChI=1S/C20H29F2N3O2S/c1-19(2,28-11-7-5-3-4-6-10-26)20(27,13-25-15-23-14-24-25)17-9-8-16(21)12-18(17)22/h8-9,12,14-15,26-27H,3-7,10-11,13H2,1-2H3