3-[6-azanyl-3,5-dicyano-4-(4-methylphenyl)pyridin-2-yl]sulfanyl-N-(1,3-benzodioxol-5-yl)propanamide

Systemtic Name: 3-[6-azanyl-3,5-dicyano-4-(4-methylphenyl)pyridin-2-yl]sulfanyl-N-(1,3-benzodioxol-5-yl)propanamide Openeye Name: 3-[[6-amino-3,5-dicyano-4-(p-tolyl)-2-pyridyl]sulfanyl]-N-(1,3-benzodioxol-5-yl)propanamide CAS Name: 3-[[6-amino-3,5-dicyano-4-(4-methylphenyl)-2-pyridinyl]thio]-N-(1,3-benzodioxol-5-yl)propanamide IUPAC Name: 3-[6-amino-3,5-dicyano-4-(4-methylphenyl)pyridin-2-yl]sulfanyl-N-(1,3-benzodioxol-5-yl)propanamide Traditional Name: 3-[[6-amino-3,5-dicyano-4-(p-tolyl)-2-pyridyl]thio]-N-(1,3-benzodioxol-5-yl)propionamide Formula: C24H19N5O3S MolecularWeight: 457.50436

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=C(C(=NC(=C2C#N)SCCC(=O)NC3=CC4=C(C=C3)OCO4)N)C#N

Isomeric SMILES

CC1=CC=C(C=C1)C2=C(C(=NC(=C2C#N)SCCC(=O)NC3=CC4=C(C=C3)OCO4)N)C#N

InChI

InChI=1S/C24H19N5O3S/c1-14-2-4-15(5-3-14)22-17(11-25)23(27)29-24(18(22)12-26)33-9-8-21(30)28-16-6-7-19-20(10-16)32-13-31-19/h2-7,10H,8-9,13H2,1H3,(H2,27,29)(H,28,30)