2-methyl-2-[4-[4-oxidanyl-2-phenyl-5-(trifluoromethyl)oxan-3-yl]sulfanylphenyl]propanenitrile

Systemtic Name: 2-methyl-2-[4-[4-oxidanyl-2-phenyl-5-(trifluoromethyl)oxan-3-yl]sulfanylphenyl]propanenitrile Openeye Name: 2-[4-[4-hydroxy-2-phenyl-5-(trifluoromethyl)tetrahydropyran-3-yl]sulfanylphenyl]-2-methyl-propanenitrile CAS Name: 2-[4-[[4-hydroxy-2-phenyl-5-(trifluoromethyl)-3-oxanyl]thio]phenyl]-2-methylpropanenitrile IUPAC Name: 2-[4-[4-hydroxy-2-phenyl-5-(trifluoromethyl)oxan-3-yl]sulfanylphenyl]-2-methylpropanenitrile Traditional Name: 2-[4-[[4-hydroxy-2-phenyl-5-(trifluoromethyl)tetrahydropyran-3-yl]thio]phenyl]-2-methyl-propionitrile Formula: C22H22F3NO2S MolecularWeight: 421.47579

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C#N)C1=CC=C(C=C1)SC2C(C(COC2C3=CC=CC=C3)C(F)(F)F)O

Isomeric SMILES

CC(C)(C#N)C1=CC=C(C=C1)SC2C(C(COC2C3=CC=CC=C3)C(F)(F)F)O

InChI

InChI=1S/C22H22F3NO2S/c1-21(2,13-26)15-8-10-16(11-9-15)29-20-18(27)17(22(23,24)25)12-28-19(20)14-6-4-3-5-7-14/h3-11,17-20,27H,12H2,1-2H3