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

Systemtic Name: 2-[4-[3-(4-methoxy-2-methyl-oxan-3-yl)-5-(trifluoromethyl)phenyl]sulfanylphenyl]-2-methyl-propanenitrile Openeye Name: 2-[4-[3-(4-methoxy-2-methyl-tetrahydropyran-3-yl)-5-(trifluoromethyl)phenyl]sulfanylphenyl]-2-methyl-propanenitrile CAS Name: 2-[4-[[3-(4-methoxy-2-methyl-3-oxanyl)-5-(trifluoromethyl)phenyl]thio]phenyl]-2-methylpropanenitrile IUPAC Name: 2-[4-[3-(4-methoxy-2-methyloxan-3-yl)-5-(trifluoromethyl)phenyl]sulfanylphenyl]-2-methylpropanenitrile Traditional Name: 2-[4-[[3-(4-methoxy-2-methyl-tetrahydropyran-3-yl)-5-(trifluoromethyl)phenyl]thio]phenyl]-2-methyl-propionitrile Formula: C24H26F3NO2S MolecularWeight: 449.52895

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H26F3NO2S/c1-15-22(21(29-4)9-10-30-15)16-11-18(24(25,26)27)13-20(12-16)31-19-7-5-17(6-8-19)23(2,3)14-28/h5-8,11-13,15,21-22H,9-10H2,1-4H3