5-cyano-6-methyl-2-(phenylsulfinylmethyl)-4-[2-(trifluoromethyl)phenyl]-1,4-dihydropyridine-3-carboxylic acid

Systemtic Name: 5-cyano-6-methyl-2-(phenylsulfinylmethyl)-4-[2-(trifluoromethyl)phenyl]-1,4-dihydropyridine-3-carboxylic acid Openeye Name: 2-(benzenesulfinylmethyl)-5-cyano-6-methyl-4-[2-(trifluoromethyl)phenyl]-1,4-dihydropyridine-3-carboxylic acid CAS Name: 2-(benzenesulfinylmethyl)-5-cyano-6-methyl-4-[2-(trifluoromethyl)phenyl]-1,4-dihydropyridine-3-carboxylic acid IUPAC Name: 2-(benzenesulfinylmethyl)-5-cyano-6-methyl-4-[2-(trifluoromethyl)phenyl]-1,4-dihydropyridine-3-carboxylic acid Traditional Name: 2-(benzenesulfinylmethyl)-5-cyano-6-methyl-4-[2-(trifluoromethyl)phenyl]-1,4-dihydropyridine-3-carboxylic acid Formula: C22H17F3N2O3S MolecularWeight: 446.44219

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C(=C(N1)CS(=O)C2=CC=CC=C2)C(=O)O)C3=CC=CC=C3C(F)(F)F)C#N

Isomeric SMILES

CC1=C(C(C(=C(N1)CS(=O)C2=CC=CC=C2)C(=O)O)C3=CC=CC=C3C(F)(F)F)C#N

InChI

InChI=1S/C22H17F3N2O3S/c1-13-16(11-26)19(15-9-5-6-10-17(15)22(23,24)25)20(21(28)29)18(27-13)12-31(30)14-7-3-2-4-8-14/h2-10,19,27H,12H2,1H3,(H,28,29)