5-cyano-4-(2-iodanylphenyl)-2-methyl-N-(2-methylphenyl)-6-sulfanyl-1,4-dihydropyridine-3-carboxamide

Systemtic Name: 5-cyano-4-(2-iodanylphenyl)-2-methyl-N-(2-methylphenyl)-6-sulfanyl-1,4-dihydropyridine-3-carboxamide Openeye Name: 5-cyano-4-(2-iodophenyl)-2-methyl-N-(o-tolyl)-6-sulfanyl-1,4-dihydropyridine-3-carboxamide CAS Name: 5-cyano-4-(2-iodophenyl)-6-mercapto-2-methyl-N-(2-methylphenyl)-1,4-dihydropyridine-3-carboxamide IUPAC Name: 5-cyano-4-(2-iodophenyl)-2-methyl-N-(2-methylphenyl)-6-sulfanyl-1,4-dihydropyridine-3-carboxamide Traditional Name: 5-cyano-4-(2-iodophenyl)-6-mercapto-2-methyl-N-(o-tolyl)-1,4-dihydropyridine-3-carboxamide Formula: C21H18IN3OS MolecularWeight: 487.35659

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=O)C2=C(NC(=C(C2C3=CC=CC=C3I)C#N)S)C

Isomeric SMILES

CC1=CC=CC=C1NC(=O)C2=C(NC(=C(C2C3=CC=CC=C3I)C#N)S)C

InChI

InChI=1S/C21H18IN3OS/c1-12-7-3-6-10-17(12)25-20(26)18-13(2)24-21(27)15(11-23)19(18)14-8-4-5-9-16(14)22/h3-10,19,24,27H,1-2H3,(H,25,26)