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

Systemtic Name: 2-methyl-2-[3-[3-(4-oxidanyloxan-4-yl)-5-(trifluoromethyl)phenyl]sulfanylphenyl]propanenitrile Openeye Name: 2-[3-[3-(4-hydroxytetrahydropyran-4-yl)-5-(trifluoromethyl)phenyl]sulfanylphenyl]-2-methyl-propanenitrile CAS Name: 2-[3-[[3-(4-hydroxy-4-oxanyl)-5-(trifluoromethyl)phenyl]thio]phenyl]-2-methylpropanenitrile IUPAC Name: 2-[3-[3-(4-hydroxyoxan-4-yl)-5-(trifluoromethyl)phenyl]sulfanylphenyl]-2-methylpropanenitrile Traditional Name: 2-[3-[[3-(4-hydroxytetrahydropyran-4-yl)-5-(trifluoromethyl)phenyl]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(=CC=C1)SC2=CC(=CC(=C2)C(F)(F)F)C3(CCOCC3)O

Isomeric SMILES

CC(C)(C#N)C1=CC(=CC=C1)SC2=CC(=CC(=C2)C(F)(F)F)C3(CCOCC3)O

InChI

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