5-cyano-4-(4-fluorophenyl)-N-(2-methoxyphenyl)-2-methyl-6-phenacylsulfanyl-1,4-dihydropyridine-3-carboxamide

Systemtic Name: 5-cyano-4-(4-fluorophenyl)-N-(2-methoxyphenyl)-2-methyl-6-phenacylsulfanyl-1,4-dihydropyridine-3-carboxamide Openeye Name: 5-cyano-4-(4-fluorophenyl)-N-(2-methoxyphenyl)-2-methyl-6-phenacylsulfanyl-1,4-dihydropyridine-3-carboxamide CAS Name: 5-cyano-4-(4-fluorophenyl)-N-(2-methoxyphenyl)-2-methyl-6-(phenacylthio)-1,4-dihydropyridine-3-carboxamide IUPAC Name: 5-cyano-4-(4-fluorophenyl)-N-(2-methoxyphenyl)-2-methyl-6-phenacylsulfanyl-1,4-dihydropyridine-3-carboxamide Traditional Name: 5-cyano-4-(4-fluorophenyl)-N-(2-methoxyphenyl)-2-methyl-6-(phenacylthio)-1,4-dihydropyridine-3-carboxamide Formula: C29H24FN3O3S MolecularWeight: 513.582563

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C(=C(N1)SCC(=O)C2=CC=CC=C2)C#N)C3=CC=C(C=C3)F)C(=O)NC4=CC=CC=C4OC

Isomeric SMILES

CC1=C(C(C(=C(N1)SCC(=O)C2=CC=CC=C2)C#N)C3=CC=C(C=C3)F)C(=O)NC4=CC=CC=C4OC

InChI

InChI=1S/C29H24FN3O3S/c1-18-26(28(35)33-23-10-6-7-11-25(23)36-2)27(20-12-14-21(30)15-13-20)22(16-31)29(32-18)37-17-24(34)19-8-4-3-5-9-19/h3-15,27,32H,17H2,1-2H3,(H,33,35)