5-cyano-4-(3-methoxy-4-oxidanyl-phenyl)-2-methyl-6-phenacylsulfanyl-N-phenyl-1,4-dihydropyridine-3-carboxamide

Systemtic Name: 5-cyano-4-(3-methoxy-4-oxidanyl-phenyl)-2-methyl-6-phenacylsulfanyl-N-phenyl-1,4-dihydropyridine-3-carboxamide Openeye Name: 5-cyano-4-(4-hydroxy-3-methoxy-phenyl)-2-methyl-6-phenacylsulfanyl-N-phenyl-1,4-dihydropyridine-3-carboxamide CAS Name: 5-cyano-4-(4-hydroxy-3-methoxyphenyl)-2-methyl-6-(phenacylthio)-N-phenyl-1,4-dihydropyridine-3-carboxamide IUPAC Name: 5-cyano-4-(4-hydroxy-3-methoxyphenyl)-2-methyl-6-phenacylsulfanyl-N-phenyl-1,4-dihydropyridine-3-carboxamide Traditional Name: 5-cyano-4-(4-hydroxy-3-methoxy-phenyl)-2-methyl-6-(phenacylthio)-N-phenyl-1,4-dihydropyridine-3-carboxamide Formula: C29H25N3O4S MolecularWeight: 511.5915

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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)O)OC)C(=O)NC4=CC=CC=C4

Isomeric SMILES

CC1=C(C(C(=C(N1)SCC(=O)C2=CC=CC=C2)C#N)C3=CC(=C(C=C3)O)OC)C(=O)NC4=CC=CC=C4

InChI

InChI=1S/C29H25N3O4S/c1-18-26(28(35)32-21-11-7-4-8-12-21)27(20-13-14-23(33)25(15-20)36-2)22(16-30)29(31-18)37-17-24(34)19-9-5-3-6-10-19/h3-15,27,31,33H,17H2,1-2H3,(H,32,35)