2-[3-(4-methylsulfanylphenyl)-5-(trifluoromethyl)pyridin-2-yl]-2-phenyl-ethanenitrile

Systemtic Name: 2-[3-(4-methylsulfanylphenyl)-5-(trifluoromethyl)pyridin-2-yl]-2-phenyl-ethanenitrile Openeye Name: 2-[3-(4-methylsulfanylphenyl)-5-(trifluoromethyl)-2-pyridyl]-2-phenyl-acetonitrile CAS Name: 2-[3-[4-(methylthio)phenyl]-5-(trifluoromethyl)-2-pyridinyl]-2-phenylacetonitrile IUPAC Name: 2-[3-(4-methylsulfanylphenyl)-5-(trifluoromethyl)pyridin-2-yl]-2-phenylacetonitrile Traditional Name: 2-[3-[4-(methylthio)phenyl]-5-(trifluoromethyl)-2-pyridyl]-2-phenyl-acetonitrile Formula: C21H15F3N2S MolecularWeight: 384.41741

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)C2=CC(=CN=C2C(C#N)C3=CC=CC=C3)C(F)(F)F

Isomeric SMILES

CSC1=CC=C(C=C1)C2=CC(=CN=C2C(C#N)C3=CC=CC=C3)C(F)(F)F

InChI

InChI=1S/C21H15F3N2S/c1-27-17-9-7-15(8-10-17)18-11-16(21(22,23)24)13-26-20(18)19(12-25)14-5-3-2-4-6-14/h2-11,13,19H,1H3