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

Systemtic Name: 2-methyl-2-[3-[3-(2-methyl-4-oxidanyl-oxan-3-yl)-5-(trifluoromethyl)phenyl]sulfanylphenyl]propanenitrile Openeye Name: 2-[3-[3-(4-hydroxy-2-methyl-tetrahydropyran-3-yl)-5-(trifluoromethyl)phenyl]sulfanylphenyl]-2-methyl-propanenitrile CAS Name: 2-[3-[[3-(4-hydroxy-2-methyl-3-oxanyl)-5-(trifluoromethyl)phenyl]thio]phenyl]-2-methylpropanenitrile IUPAC Name: 2-[3-[3-(4-hydroxy-2-methyloxan-3-yl)-5-(trifluoromethyl)phenyl]sulfanylphenyl]-2-methylpropanenitrile Traditional Name: 2-[3-[[3-(4-hydroxy-2-methyl-tetrahydropyran-3-yl)-5-(trifluoromethyl)phenyl]thio]phenyl]-2-methyl-propionitrile Formula: C23H24F3NO2S MolecularWeight: 435.50237

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(C(CCO1)O)C2=CC(=CC(=C2)SC3=CC=CC(=C3)C(C)(C)C#N)C(F)(F)F

Isomeric SMILES

CC1C(C(CCO1)O)C2=CC(=CC(=C2)SC3=CC=CC(=C3)C(C)(C)C#N)C(F)(F)F

InChI

InChI=1S/C23H24F3NO2S/c1-14-21(20(28)7-8-29-14)15-9-17(23(24,25)26)12-19(10-15)30-18-6-4-5-16(11-18)22(2,3)13-27/h4-6,9-12,14,20-21,28H,7-8H2,1-3H3