3-(3-cyano-6-phenyl-pyridin-2-yl)sulfanyl-N-(4-methylpyridin-2-yl)propanamide

Systemtic Name: 3-(3-cyano-6-phenyl-pyridin-2-yl)sulfanyl-N-(4-methylpyridin-2-yl)propanamide Openeye Name: 3-[(3-cyano-6-phenyl-2-pyridyl)sulfanyl]-N-(4-methyl-2-pyridyl)propanamide CAS Name: 3-[(3-cyano-6-phenyl-2-pyridinyl)thio]-N-(4-methyl-2-pyridinyl)propanamide IUPAC Name: 3-(3-cyano-6-phenylpyridin-2-yl)sulfanyl-N-(4-methylpyridin-2-yl)propanamide Traditional Name: 3-[(3-cyano-6-phenyl-2-pyridyl)thio]-N-(4-methyl-2-pyridyl)propionamide Formula: C21H18N4OS MolecularWeight: 374.45882

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC=C1)NC(=O)CCSC2=C(C=CC(=N2)C3=CC=CC=C3)C#N

Isomeric SMILES

CC1=CC(=NC=C1)NC(=O)CCSC2=C(C=CC(=N2)C3=CC=CC=C3)C#N

InChI

InChI=1S/C21H18N4OS/c1-15-9-11-23-19(13-15)25-20(26)10-12-27-21-17(14-22)7-8-18(24-21)16-5-3-2-4-6-16/h2-9,11,13H,10,12H2,1H3,(H,23,25,26)