3-[3-cyano-6-phenyl-4-(3,4,5-trimethoxyphenyl)pyridin-2-yl]sulfanyl-N-(4-phenoxyphenyl)propanamide

Systemtic Name: 3-[3-cyano-6-phenyl-4-(3,4,5-trimethoxyphenyl)pyridin-2-yl]sulfanyl-N-(4-phenoxyphenyl)propanamide Openeye Name: 3-[[3-cyano-6-phenyl-4-(3,4,5-trimethoxyphenyl)-2-pyridyl]sulfanyl]-N-(4-phenoxyphenyl)propanamide CAS Name: 3-[[3-cyano-6-phenyl-4-(3,4,5-trimethoxyphenyl)-2-pyridinyl]thio]-N-(4-phenoxyphenyl)propanamide IUPAC Name: 3-[3-cyano-6-phenyl-4-(3,4,5-trimethoxyphenyl)pyridin-2-yl]sulfanyl-N-(4-phenoxyphenyl)propanamide Traditional Name: 3-[[3-cyano-6-phenyl-4-(3,4,5-trimethoxyphenyl)-2-pyridyl]thio]-N-(4-phenoxyphenyl)propionamide Formula: C36H31N3O5S MolecularWeight: 617.71344

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C2=CC(=NC(=C2C#N)SCCC(=O)NC3=CC=C(C=C3)OC4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C2=CC(=NC(=C2C#N)SCCC(=O)NC3=CC=C(C=C3)OC4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C36H31N3O5S/c1-41-32-20-25(21-33(42-2)35(32)43-3)29-22-31(24-10-6-4-7-11-24)39-36(30(29)23-37)45-19-18-34(40)38-26-14-16-28(17-15-26)44-27-12-8-5-9-13-27/h4-17,20-22H,18-19H2,1-3H3,(H,38,40)