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

Systemtic Name: 3-[3-cyano-4-(2,5-dimethoxyphenyl)-6-phenyl-pyridin-2-yl]sulfanyl-N-(4-ethoxyphenyl)propanamide Openeye Name: 3-[[3-cyano-4-(2,5-dimethoxyphenyl)-6-phenyl-2-pyridyl]sulfanyl]-N-(4-ethoxyphenyl)propanamide CAS Name: 3-[[3-cyano-4-(2,5-dimethoxyphenyl)-6-phenyl-2-pyridinyl]thio]-N-(4-ethoxyphenyl)propanamide IUPAC Name: 3-[3-cyano-4-(2,5-dimethoxyphenyl)-6-phenylpyridin-2-yl]sulfanyl-N-(4-ethoxyphenyl)propanamide Traditional Name: 3-[[3-cyano-4-(2,5-dimethoxyphenyl)-6-phenyl-2-pyridyl]thio]-N-p-phenetyl-propionamide Formula: C31H29N3O4S MolecularWeight: 539.64466

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC(=O)CCSC2=C(C(=CC(=N2)C3=CC=CC=C3)C4=C(C=CC(=C4)OC)OC)C#N

Isomeric SMILES

CCOC1=CC=C(C=C1)NC(=O)CCSC2=C(C(=CC(=N2)C3=CC=CC=C3)C4=C(C=CC(=C4)OC)OC)C#N

InChI

InChI=1S/C31H29N3O4S/c1-4-38-23-12-10-22(11-13-23)33-30(35)16-17-39-31-27(20-32)25(19-28(34-31)21-8-6-5-7-9-21)26-18-24(36-2)14-15-29(26)37-3/h5-15,18-19H,4,16-17H2,1-3H3,(H,33,35)