3-(6-azanyl-3,5-dicyano-4-phenyl-pyridin-2-yl)sulfanyl-N-(4-methylpyridin-2-yl)propanamide

Systemtic Name: 3-(6-azanyl-3,5-dicyano-4-phenyl-pyridin-2-yl)sulfanyl-N-(4-methylpyridin-2-yl)propanamide Openeye Name: 3-[(6-amino-3,5-dicyano-4-phenyl-2-pyridyl)sulfanyl]-N-(4-methyl-2-pyridyl)propanamide CAS Name: 3-[(6-amino-3,5-dicyano-4-phenyl-2-pyridinyl)thio]-N-(4-methyl-2-pyridinyl)propanamide IUPAC Name: 3-(6-amino-3,5-dicyano-4-phenylpyridin-2-yl)sulfanyl-N-(4-methylpyridin-2-yl)propanamide Traditional Name: 3-[(6-amino-3,5-dicyano-4-phenyl-2-pyridyl)thio]-N-(4-methyl-2-pyridyl)propionamide Formula: C22H18N6OS MolecularWeight: 414.48292

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H18N6OS/c1-14-7-9-26-18(11-14)27-19(29)8-10-30-22-17(13-24)20(15-5-3-2-4-6-15)16(12-23)21(25)28-22/h2-7,9,11H,8,10H2,1H3,(H2,25,28)(H,26,27,29)