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

Systemtic Name: 3-[3-cyano-4-(2,5-dimethoxyphenyl)-6-phenyl-pyridin-2-yl]sulfanyl-N-pyridin-2-yl-propanamide Openeye Name: 3-[[3-cyano-4-(2,5-dimethoxyphenyl)-6-phenyl-2-pyridyl]sulfanyl]-N-(2-pyridyl)propanamide CAS Name: 3-[[3-cyano-4-(2,5-dimethoxyphenyl)-6-phenyl-2-pyridinyl]thio]-N-(2-pyridinyl)propanamide IUPAC Name: 3-[3-cyano-4-(2,5-dimethoxyphenyl)-6-phenylpyridin-2-yl]sulfanyl-N-pyridin-2-ylpropanamide Traditional Name: 3-[[3-cyano-4-(2,5-dimethoxyphenyl)-6-phenyl-2-pyridyl]thio]-N-(2-pyridyl)propionamide Formula: C28H24N4O3S MolecularWeight: 496.58016

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)C2=CC(=NC(=C2C#N)SCCC(=O)NC3=CC=CC=N3)C4=CC=CC=C4

Isomeric SMILES

COC1=CC(=C(C=C1)OC)C2=CC(=NC(=C2C#N)SCCC(=O)NC3=CC=CC=N3)C4=CC=CC=C4

InChI

InChI=1S/C28H24N4O3S/c1-34-20-11-12-25(35-2)22(16-20)21-17-24(19-8-4-3-5-9-19)31-28(23(21)18-29)36-15-13-27(33)32-26-10-6-7-14-30-26/h3-12,14,16-17H,13,15H2,1-2H3,(H,30,32,33)