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

Systemtic Name: 3-[3-cyano-6-(4-methoxyphenyl)pyridin-2-yl]sulfanyl-N-pyridin-2-yl-propanamide Openeye Name: 3-[[3-cyano-6-(4-methoxyphenyl)-2-pyridyl]sulfanyl]-N-(2-pyridyl)propanamide CAS Name: 3-[[3-cyano-6-(4-methoxyphenyl)-2-pyridinyl]thio]-N-(2-pyridinyl)propanamide IUPAC Name: 3-[3-cyano-6-(4-methoxyphenyl)pyridin-2-yl]sulfanyl-N-pyridin-2-ylpropanamide Traditional Name: 3-[[3-cyano-6-(4-methoxyphenyl)-2-pyridyl]thio]-N-(2-pyridyl)propionamide Formula: C21H18N4O2S MolecularWeight: 390.45822

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H18N4O2S/c1-27-17-8-5-15(6-9-17)18-10-7-16(14-22)21(24-18)28-13-11-20(26)25-19-4-2-3-12-23-19/h2-10,12H,11,13H2,1H3,(H,23,25,26)