3-[3-cyano-6-phenyl-4-(3,4,5-trimethoxyphenyl)pyridin-2-yl]sulfanyl-N-(3-oxidanylidene-2-phenyl-1H-pyrazol-5-yl)propanamide

Systemtic Name: 3-[3-cyano-6-phenyl-4-(3,4,5-trimethoxyphenyl)pyridin-2-yl]sulfanyl-N-(3-oxidanylidene-2-phenyl-1H-pyrazol-5-yl)propanamide Openeye Name: 3-[[3-cyano-6-phenyl-4-(3,4,5-trimethoxyphenyl)-2-pyridyl]sulfanyl]-N-(3-oxo-2-phenyl-1H-pyrazol-5-yl)propanamide CAS Name: 3-[[3-cyano-6-phenyl-4-(3,4,5-trimethoxyphenyl)-2-pyridinyl]thio]-N-(3-oxo-2-phenyl-1H-pyrazol-5-yl)propanamide IUPAC Name: 3-[3-cyano-6-phenyl-4-(3,4,5-trimethoxyphenyl)pyridin-2-yl]sulfanyl-N-(3-oxo-2-phenyl-1H-pyrazol-5-yl)propanamide Traditional Name: 3-[[3-cyano-6-phenyl-4-(3,4,5-trimethoxyphenyl)-2-pyridyl]thio]-N-(5-keto-1-phenyl-3-pyrazolin-3-yl)propionamide Formula: C33H29N5O5S MolecularWeight: 607.67886

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C2=CC(=NC(=C2C#N)SCCC(=O)NC3=CC(=O)N(N3)C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C2=CC(=NC(=C2C#N)SCCC(=O)NC3=CC(=O)N(N3)C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C33H29N5O5S/c1-41-27-16-22(17-28(42-2)32(27)43-3)24-18-26(21-10-6-4-7-11-21)35-33(25(24)20-34)44-15-14-30(39)36-29-19-31(40)38(37-29)23-12-8-5-9-13-23/h4-13,16-19,37H,14-15H2,1-3H3,(H,36,39)