(2R,3S,4R)-5-cyano-4-(2-iodanylphenyl)-2-methyl-N-(2-methylphenyl)-6-methylsulfanyl-2-oxidanyl-3,4-dihydro-1H-pyridine-3-carboxamide

Systemtic Name: (2R,3S,4R)-5-cyano-4-(2-iodanylphenyl)-2-methyl-N-(2-methylphenyl)-6-methylsulfanyl-2-oxidanyl-3,4-dihydro-1H-pyridine-3-carboxamide Openeye Name: (2R,3S,4R)-5-cyano-2-hydroxy-4-(2-iodophenyl)-2-methyl-6-methylsulfanyl-N-(o-tolyl)-3,4-dihydro-1H-pyridine-3-carboxamide CAS Name: (2R,3S,4R)-5-cyano-2-hydroxy-4-(2-iodophenyl)-2-methyl-N-(2-methylphenyl)-6-(methylthio)-3,4-dihydro-1H-pyridine-3-carboxamide IUPAC Name: (2R,3S,4R)-5-cyano-2-hydroxy-4-(2-iodophenyl)-2-methyl-N-(2-methylphenyl)-6-methylsulfanyl-3,4-dihydro-1H-pyridine-3-carboxamide Traditional Name: (2R,3S,4R)-5-cyano-2-hydroxy-4-(2-iodophenyl)-2-methyl-6-(methylthio)-N-(o-tolyl)-3,4-dihydro-1H-pyridine-3-carboxamide Formula: C22H22IN3O2S MolecularWeight: 519.39845

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=O)C2C(C(=C(NC2(C)O)SC)C#N)C3=CC=CC=C3I

Isomeric SMILES

CC1=CC=CC=C1NC(=O)[C@H]2[C@H](C(=C(N[C@]2(C)O)SC)C#N)C3=CC=CC=C3I

InChI

InChI=1S/C22H22IN3O2S/c1-13-8-4-7-11-17(13)25-20(27)19-18(14-9-5-6-10-16(14)23)15(12-24)21(29-3)26-22(19,2)28/h4-11,18-19,26,28H,1-3H3,(H,25,27)/t18-,19+,22+/m0/s1