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

Systemtic Name: 3-[3-cyano-4-(4-methoxyphenyl)-6-phenyl-pyridin-2-yl]sulfanyl-N-pyridin-2-yl-propanamide Openeye Name: 3-[[3-cyano-4-(4-methoxyphenyl)-6-phenyl-2-pyridyl]sulfanyl]-N-(2-pyridyl)propanamide CAS Name: 3-[[3-cyano-4-(4-methoxyphenyl)-6-phenyl-2-pyridinyl]thio]-N-(2-pyridinyl)propanamide IUPAC Name: 3-[3-cyano-4-(4-methoxyphenyl)-6-phenylpyridin-2-yl]sulfanyl-N-pyridin-2-ylpropanamide Traditional Name: 3-[[3-cyano-4-(4-methoxyphenyl)-6-phenyl-2-pyridyl]thio]-N-(2-pyridyl)propionamide Formula: C27H22N4O2S MolecularWeight: 466.55418

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H22N4O2S/c1-33-21-12-10-19(11-13-21)22-17-24(20-7-3-2-4-8-20)30-27(23(22)18-28)34-16-14-26(32)31-25-9-5-6-15-29-25/h2-13,15,17H,14,16H2,1H3,(H,29,31,32)