5-cyano-2-methyl-N,4-diphenyl-6-[2-(phenylmethyl)sulfonylethylsulfanyl]pyridine-3-carboxamide

Systemtic Name: 5-cyano-2-methyl-N,4-diphenyl-6-[2-(phenylmethyl)sulfonylethylsulfanyl]pyridine-3-carboxamide Openeye Name: 6-(2-benzylsulfonylethylsulfanyl)-5-cyano-2-methyl-N,4-diphenyl-pyridine-3-carboxamide CAS Name: 5-cyano-2-methyl-N,4-diphenyl-6-[2-(phenylmethyl)sulfonylethylthio]-3-pyridinecarboxamide IUPAC Name: 6-(2-benzylsulfonylethylsulfanyl)-5-cyano-2-methyl-N,4-diphenylpyridine-3-carboxamide Traditional Name: 6-(2-benzylsulfonylethylthio)-5-cyano-2-methyl-N,4-diphenyl-nicotinamide Formula: C29H25N3O3S2 MolecularWeight: 527.6571

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C(=N1)SCCS(=O)(=O)CC2=CC=CC=C2)C#N)C3=CC=CC=C3)C(=O)NC4=CC=CC=C4

Isomeric SMILES

CC1=C(C(=C(C(=N1)SCCS(=O)(=O)CC2=CC=CC=C2)C#N)C3=CC=CC=C3)C(=O)NC4=CC=CC=C4

InChI

InChI=1S/C29H25N3O3S2/c1-21-26(28(33)32-24-15-9-4-10-16-24)27(23-13-7-3-8-14-23)25(19-30)29(31-21)36-17-18-37(34,35)20-22-11-5-2-6-12-22/h2-16H,17-18,20H2,1H3,(H,32,33)