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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(CCO1)(O)SC2=CC=CC(=C2)C(C)(C)C#N)C3=CC(=CC=C3)C(F)(F)F

Isomeric SMILES

CC1(CC(CCO1)(O)SC2=CC=CC(=C2)C(C)(C)C#N)C3=CC(=CC=C3)C(F)(F)F

InChI

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