5-cyano-4-(2-fluorophenyl)-2-methyl-6-[2-[(4-methylphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-N-phenyl-1,4-dihydropyridine-3-carboxamide

Systemtic Name: 5-cyano-4-(2-fluorophenyl)-2-methyl-6-[2-[(4-methylphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-N-phenyl-1,4-dihydropyridine-3-carboxamide Openeye Name: 5-cyano-4-(2-fluorophenyl)-2-methyl-6-[2-(4-methylanilino)-2-oxo-ethyl]sulfanyl-N-phenyl-1,4-dihydropyridine-3-carboxamide CAS Name: 5-cyano-4-(2-fluorophenyl)-2-methyl-6-[[2-(4-methylanilino)-2-oxoethyl]thio]-N-phenyl-1,4-dihydropyridine-3-carboxamide IUPAC Name: 5-cyano-4-(2-fluorophenyl)-2-methyl-6-[2-(4-methylanilino)-2-oxoethyl]sulfanyl-N-phenyl-1,4-dihydropyridine-3-carboxamide Traditional Name: 5-cyano-4-(2-fluorophenyl)-6-[[2-keto-2-(p-toluidino)ethyl]thio]-2-methyl-N-phenyl-1,4-dihydropyridine-3-carboxamide Formula: C29H25FN4O2S MolecularWeight: 512.597803

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)CSC2=C(C(C(=C(N2)C)C(=O)NC3=CC=CC=C3)C4=CC=CC=C4F)C#N

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)CSC2=C(C(C(=C(N2)C)C(=O)NC3=CC=CC=C3)C4=CC=CC=C4F)C#N

InChI

InChI=1S/C29H25FN4O2S/c1-18-12-14-21(15-13-18)33-25(35)17-37-29-23(16-31)27(22-10-6-7-11-24(22)30)26(19(2)32-29)28(36)34-20-8-4-3-5-9-20/h3-15,27,32H,17H2,1-2H3,(H,33,35)(H,34,36)