6-[2-[3,4-bis(oxidanyl)phenyl]-2-oxidanylidene-ethyl]sulfanyl-5-cyano-2-methyl-N-(2-methylphenyl)-4-pyridin-3-yl-pyridine-3-carboxamide

Systemtic Name: 6-[2-[3,4-bis(oxidanyl)phenyl]-2-oxidanylidene-ethyl]sulfanyl-5-cyano-2-methyl-N-(2-methylphenyl)-4-pyridin-3-yl-pyridine-3-carboxamide Openeye Name: 5-cyano-6-[2-(3,4-dihydroxyphenyl)-2-oxo-ethyl]sulfanyl-2-methyl-N-(o-tolyl)-4-(3-pyridyl)pyridine-3-carboxamide CAS Name: 5-cyano-6-[[2-(3,4-dihydroxyphenyl)-2-oxoethyl]thio]-2-methyl-N-(2-methylphenyl)-4-(3-pyridinyl)-3-pyridinecarboxamide IUPAC Name: 5-cyano-6-[2-(3,4-dihydroxyphenyl)-2-oxoethyl]sulfanyl-2-methyl-N-(2-methylphenyl)-4-pyridin-3-ylpyridine-3-carboxamide Traditional Name: 5-cyano-6-[[2-(3,4-dihydroxyphenyl)-2-keto-ethyl]thio]-2-methyl-N-(o-tolyl)-4-(3-pyridyl)nicotinamide Formula: C28H22N4O4S MolecularWeight: 510.56368

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=O)C2=C(N=C(C(=C2C3=CN=CC=C3)C#N)SCC(=O)C4=CC(=C(C=C4)O)O)C

Isomeric SMILES

CC1=CC=CC=C1NC(=O)C2=C(N=C(C(=C2C3=CN=CC=C3)C#N)SCC(=O)C4=CC(=C(C=C4)O)O)C

InChI

InChI=1S/C28H22N4O4S/c1-16-6-3-4-8-21(16)32-27(36)25-17(2)31-28(20(13-29)26(25)19-7-5-11-30-14-19)37-15-24(35)18-9-10-22(33)23(34)12-18/h3-12,14,33-34H,15H2,1-2H3,(H,32,36)