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

Systemtic Name: 3-[3-cyano-6-(4-methoxyphenyl)pyridin-2-yl]sulfanyl-N-pyridin-3-yl-propanamide Openeye Name: 3-[[3-cyano-6-(4-methoxyphenyl)-2-pyridyl]sulfanyl]-N-(3-pyridyl)propanamide CAS Name: 3-[[3-cyano-6-(4-methoxyphenyl)-2-pyridinyl]thio]-N-(3-pyridinyl)propanamide IUPAC Name: 3-[3-cyano-6-(4-methoxyphenyl)pyridin-2-yl]sulfanyl-N-pyridin-3-ylpropanamide Traditional Name: 3-[[3-cyano-6-(4-methoxyphenyl)-2-pyridyl]thio]-N-(3-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=CN=CC=C3

Isomeric SMILES

COC1=CC=C(C=C1)C2=NC(=C(C=C2)C#N)SCCC(=O)NC3=CN=CC=C3

InChI

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