N-(5-chloranylpyridin-2-yl)-3-[6-(4-chlorophenyl)-3-cyano-pyridin-2-yl]sulfanyl-propanamide

Systemtic Name: N-(5-chloranylpyridin-2-yl)-3-[6-(4-chlorophenyl)-3-cyano-pyridin-2-yl]sulfanyl-propanamide Openeye Name: 3-[[6-(4-chlorophenyl)-3-cyano-2-pyridyl]sulfanyl]-N-(5-chloro-2-pyridyl)propanamide CAS Name: 3-[[6-(4-chlorophenyl)-3-cyano-2-pyridinyl]thio]-N-(5-chloro-2-pyridinyl)propanamide IUPAC Name: 3-[6-(4-chlorophenyl)-3-cyanopyridin-2-yl]sulfanyl-N-(5-chloropyridin-2-yl)propanamide Traditional Name: 3-[[6-(4-chlorophenyl)-3-cyano-2-pyridyl]thio]-N-(5-chloro-2-pyridyl)propionamide Formula: C20H14Cl2N4OS MolecularWeight: 429.32236

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=NC(=C(C=C2)C#N)SCCC(=O)NC3=NC=C(C=C3)Cl)Cl

Isomeric SMILES

C1=CC(=CC=C1C2=NC(=C(C=C2)C#N)SCCC(=O)NC3=NC=C(C=C3)Cl)Cl

InChI

InChI=1S/C20H14Cl2N4OS/c21-15-4-1-13(2-5-15)17-7-3-14(11-23)20(25-17)28-10-9-19(27)26-18-8-6-16(22)12-24-18/h1-8,12H,9-10H2,(H,24,26,27)