3-[6-(4-methylsulfonylphenyl)-4-(trifluoromethyl)pyridin-2-yl]-3-phenyl-propanenitrile

Systemtic Name: 3-[6-(4-methylsulfonylphenyl)-4-(trifluoromethyl)pyridin-2-yl]-3-phenyl-propanenitrile Openeye Name: 3-[6-(4-methylsulfonylphenyl)-4-(trifluoromethyl)-2-pyridyl]-3-phenyl-propanenitrile CAS Name: 3-[6-(4-methylsulfonylphenyl)-4-(trifluoromethyl)-2-pyridinyl]-3-phenylpropanenitrile IUPAC Name: 3-[6-(4-methylsulfonylphenyl)-4-(trifluoromethyl)pyridin-2-yl]-3-phenylpropanenitrile Traditional Name: 3-[6-(4-mesylphenyl)-4-(trifluoromethyl)-2-pyridyl]-3-phenyl-propionitrile Formula: C22H17F3N2O2S MolecularWeight: 430.44279

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)C2=NC(=CC(=C2)C(F)(F)F)C(CC#N)C3=CC=CC=C3

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)C2=NC(=CC(=C2)C(F)(F)F)C(CC#N)C3=CC=CC=C3

InChI

InChI=1S/C22H17F3N2O2S/c1-30(28,29)18-9-7-16(8-10-18)20-13-17(22(23,24)25)14-21(27-20)19(11-12-26)15-5-3-2-4-6-15/h2-10,13-14,19H,11H2,1H3