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

Systemtic Name: 3-[3-cyano-4-(2,3-dimethoxyphenyl)-6-phenyl-pyridin-2-yl]sulfanyl-N-(4-phenoxyphenyl)propanamide Openeye Name: 3-[[3-cyano-4-(2,3-dimethoxyphenyl)-6-phenyl-2-pyridyl]sulfanyl]-N-(4-phenoxyphenyl)propanamide CAS Name: 3-[[3-cyano-4-(2,3-dimethoxyphenyl)-6-phenyl-2-pyridinyl]thio]-N-(4-phenoxyphenyl)propanamide IUPAC Name: 3-[3-cyano-4-(2,3-dimethoxyphenyl)-6-phenylpyridin-2-yl]sulfanyl-N-(4-phenoxyphenyl)propanamide Traditional Name: 3-[[3-cyano-4-(2,3-dimethoxyphenyl)-6-phenyl-2-pyridyl]thio]-N-(4-phenoxyphenyl)propionamide Formula: C35H29N3O4S MolecularWeight: 587.68746

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C35H29N3O4S/c1-40-32-15-9-14-28(34(32)41-2)29-22-31(24-10-5-3-6-11-24)38-35(30(29)23-36)43-21-20-33(39)37-25-16-18-27(19-17-25)42-26-12-7-4-8-13-26/h3-19,22H,20-21H2,1-2H3,(H,37,39)