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

Systemtic Name: 2-methyl-2-[3-[3-(4-oxidanyloxan-2-yl)-5-(trifluoromethyl)phenyl]sulfanylphenyl]propanenitrile Openeye Name: 2-[3-[3-(4-hydroxytetrahydropyran-2-yl)-5-(trifluoromethyl)phenyl]sulfanylphenyl]-2-methyl-propanenitrile CAS Name: 2-[3-[[3-(4-hydroxy-2-oxanyl)-5-(trifluoromethyl)phenyl]thio]phenyl]-2-methylpropanenitrile IUPAC Name: 2-[3-[3-(4-hydroxyoxan-2-yl)-5-(trifluoromethyl)phenyl]sulfanylphenyl]-2-methylpropanenitrile Traditional Name: 2-[3-[[3-(4-hydroxytetrahydropyran-2-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)C3CC(CCO3)O

Isomeric SMILES

CC(C)(C#N)C1=CC(=CC=C1)SC2=CC(=CC(=C2)C(F)(F)F)C3CC(CCO3)O

InChI

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