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

Systemtic Name: 6-[2-[3,4-bis(oxidanyl)phenyl]-2-oxidanylidene-ethyl]sulfanyl-4-(4-butoxyphenyl)-5-cyano-2-methyl-N-phenyl-pyridine-3-carboxamide Openeye Name: 4-(4-butoxyphenyl)-5-cyano-6-[2-(3,4-dihydroxyphenyl)-2-oxo-ethyl]sulfanyl-2-methyl-N-phenyl-pyridine-3-carboxamide CAS Name: 4-(4-butoxyphenyl)-5-cyano-6-[[2-(3,4-dihydroxyphenyl)-2-oxoethyl]thio]-2-methyl-N-phenyl-3-pyridinecarboxamide IUPAC Name: 4-(4-butoxyphenyl)-5-cyano-6-[2-(3,4-dihydroxyphenyl)-2-oxoethyl]sulfanyl-2-methyl-N-phenylpyridine-3-carboxamide Traditional Name: 4-(4-butoxyphenyl)-5-cyano-6-[[2-(3,4-dihydroxyphenyl)-2-keto-ethyl]thio]-2-methyl-N-phenyl-nicotinamide Formula: C32H29N3O5S MolecularWeight: 567.65476

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C2=C(C(=NC(=C2C(=O)NC3=CC=CC=C3)C)SCC(=O)C4=CC(=C(C=C4)O)O)C#N

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C2=C(C(=NC(=C2C(=O)NC3=CC=CC=C3)C)SCC(=O)C4=CC(=C(C=C4)O)O)C#N

InChI

InChI=1S/C32H29N3O5S/c1-3-4-16-40-24-13-10-21(11-14-24)30-25(18-33)32(41-19-28(38)22-12-15-26(36)27(37)17-22)34-20(2)29(30)31(39)35-23-8-6-5-7-9-23/h5-15,17,36-37H,3-4,16,19H2,1-2H3,(H,35,39)