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

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

Isomeric SMILES

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

InChI

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