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

Systemtic Name: 3-[3-cyano-4-(2,5-dimethoxyphenyl)-6-phenyl-pyridin-2-yl]sulfanyl-N-phenyl-propanamide Openeye Name: 3-[[3-cyano-4-(2,5-dimethoxyphenyl)-6-phenyl-2-pyridyl]sulfanyl]-N-phenyl-propanamide CAS Name: 3-[[3-cyano-4-(2,5-dimethoxyphenyl)-6-phenyl-2-pyridinyl]thio]-N-phenylpropanamide IUPAC Name: 3-[3-cyano-4-(2,5-dimethoxyphenyl)-6-phenylpyridin-2-yl]sulfanyl-N-phenylpropanamide Traditional Name: 3-[[3-cyano-4-(2,5-dimethoxyphenyl)-6-phenyl-2-pyridyl]thio]-N-phenyl-propionamide Formula: C29H25N3O3S MolecularWeight: 495.5921

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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=C3)C4=CC=CC=C4

Isomeric SMILES

COC1=CC(=C(C=C1)OC)C2=CC(=NC(=C2C#N)SCCC(=O)NC3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C29H25N3O3S/c1-34-22-13-14-27(35-2)24(17-22)23-18-26(20-9-5-3-6-10-20)32-29(25(23)19-30)36-16-15-28(33)31-21-11-7-4-8-12-21/h3-14,17-18H,15-16H2,1-2H3,(H,31,33)