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

Systemtic Name: 3-[6-(4-chlorophenyl)-3-cyano-pyridin-2-yl]sulfanyl-N-pyridin-3-yl-propanamide Openeye Name: 3-[[6-(4-chlorophenyl)-3-cyano-2-pyridyl]sulfanyl]-N-(3-pyridyl)propanamide CAS Name: 3-[[6-(4-chlorophenyl)-3-cyano-2-pyridinyl]thio]-N-(3-pyridinyl)propanamide IUPAC Name: 3-[6-(4-chlorophenyl)-3-cyanopyridin-2-yl]sulfanyl-N-pyridin-3-ylpropanamide Traditional Name: 3-[[6-(4-chlorophenyl)-3-cyano-2-pyridyl]thio]-N-(3-pyridyl)propionamide Formula: C20H15ClN4OS MolecularWeight: 394.8773

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CN=C1)NC(=O)CCSC2=C(C=CC(=N2)C3=CC=C(C=C3)Cl)C#N

Isomeric SMILES

C1=CC(=CN=C1)NC(=O)CCSC2=C(C=CC(=N2)C3=CC=C(C=C3)Cl)C#N

InChI

InChI=1S/C20H15ClN4OS/c21-16-6-3-14(4-7-16)18-8-5-15(12-22)20(25-18)27-11-9-19(26)24-17-2-1-10-23-13-17/h1-8,10,13H,9,11H2,(H,24,26)