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

Systemtic Name: 3-[6-azanyl-3,5-dicyano-4-(4-methylphenyl)pyridin-2-yl]sulfanyl-N-(2-ethoxyphenyl)propanamide Openeye Name: 3-[[6-amino-3,5-dicyano-4-(p-tolyl)-2-pyridyl]sulfanyl]-N-(2-ethoxyphenyl)propanamide CAS Name: 3-[[6-amino-3,5-dicyano-4-(4-methylphenyl)-2-pyridinyl]thio]-N-(2-ethoxyphenyl)propanamide IUPAC Name: 3-[6-amino-3,5-dicyano-4-(4-methylphenyl)pyridin-2-yl]sulfanyl-N-(2-ethoxyphenyl)propanamide Traditional Name: 3-[[6-amino-3,5-dicyano-4-(p-tolyl)-2-pyridyl]thio]-N-o-phenetyl-propionamide Formula: C25H23N5O2S MolecularWeight: 457.54742

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1NC(=O)CCSC2=C(C(=C(C(=N2)N)C#N)C3=CC=C(C=C3)C)C#N

Isomeric SMILES

CCOC1=CC=CC=C1NC(=O)CCSC2=C(C(=C(C(=N2)N)C#N)C3=CC=C(C=C3)C)C#N

InChI

InChI=1S/C25H23N5O2S/c1-3-32-21-7-5-4-6-20(21)29-22(31)12-13-33-25-19(15-27)23(18(14-26)24(28)30-25)17-10-8-16(2)9-11-17/h4-11H,3,12-13H2,1-2H3,(H2,28,30)(H,29,31)