2-[2,4-bis(fluoranyl)phenyl]-3-methyl-1-(1,2,4-triazol-1-yl)-3-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]sulfanyl-butan-2-ol

Systemtic Name: 2-[2,4-bis(fluoranyl)phenyl]-3-methyl-1-(1,2,4-triazol-1-yl)-3-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]sulfanyl-butan-2-ol Openeye Name: 2-(2,4-difluorophenyl)-3-methyl-1-(1,2,4-triazol-1-yl)-3-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]sulfanyl-butan-2-ol CAS Name: 2-(2,4-difluorophenyl)-3-methyl-1-(1,2,4-triazol-1-yl)-3-[[6-(1,2,4-triazol-1-yl)-3-pyridazinyl]thio]-2-butanol IUPAC Name: 2-(2,4-difluorophenyl)-3-methyl-1-(1,2,4-triazol-1-yl)-3-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]sulfanylbutan-2-ol Traditional Name: 2-(2,4-difluorophenyl)-3-methyl-1-(1,2,4-triazol-1-yl)-3-[[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]thio]butan-2-ol Formula: C19H18F2N8OS MolecularWeight: 444.461026

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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)SC3=NN=C(C=C3)N4C=NC=N4

Isomeric SMILES

CC(C)(C(CN1C=NC=N1)(C2=C(C=C(C=C2)F)F)O)SC3=NN=C(C=C3)N4C=NC=N4

InChI

InChI=1S/C19H18F2N8OS/c1-18(2,31-17-6-5-16(26-27-17)29-12-23-10-25-29)19(30,8-28-11-22-9-24-28)14-4-3-13(20)7-15(14)21/h3-7,9-12,30H,8H2,1-2H3