3-methyl-3-methylsulfanyl-1-(1,2,4-triazol-1-yl)-2-[2-(trifluoromethyl)phenyl]butan-2-ol

Systemtic Name: 3-methyl-3-methylsulfanyl-1-(1,2,4-triazol-1-yl)-2-[2-(trifluoromethyl)phenyl]butan-2-ol Openeye Name: 3-methyl-3-methylsulfanyl-1-(1,2,4-triazol-1-yl)-2-[2-(trifluoromethyl)phenyl]butan-2-ol CAS Name: 3-methyl-3-(methylthio)-1-(1,2,4-triazol-1-yl)-2-[2-(trifluoromethyl)phenyl]-2-butanol IUPAC Name: 3-methyl-3-methylsulfanyl-1-(1,2,4-triazol-1-yl)-2-[2-(trifluoromethyl)phenyl]butan-2-ol Traditional Name: 3-methyl-3-(methylthio)-1-(1,2,4-triazol-1-yl)-2-[2-(trifluoromethyl)phenyl]butan-2-ol Formula: C15H18F3N3OS MolecularWeight: 345.38313

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(CN1C=NC=N1)(C2=CC=CC=C2C(F)(F)F)O)SC

Isomeric SMILES

CC(C)(C(CN1C=NC=N1)(C2=CC=CC=C2C(F)(F)F)O)SC

InChI

InChI=1S/C15H18F3N3OS/c1-13(2,23-3)14(22,8-21-10-19-9-20-21)11-6-4-5-7-12(11)15(16,17)18/h4-7,9-10,22H,8H2,1-3H3