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

Systemtic Name: 3-[6-azanyl-3,5-dicyano-4-(4-propan-2-ylphenyl)pyridin-2-yl]sulfanyl-N-(4-methylphenyl)propanamide Openeye Name: 3-[[6-amino-3,5-dicyano-4-(4-isopropylphenyl)-2-pyridyl]sulfanyl]-N-(p-tolyl)propanamide CAS Name: 3-[[6-amino-3,5-dicyano-4-(4-propan-2-ylphenyl)-2-pyridinyl]thio]-N-(4-methylphenyl)propanamide IUPAC Name: 3-[6-amino-3,5-dicyano-4-(4-propan-2-ylphenyl)pyridin-2-yl]sulfanyl-N-(4-methylphenyl)propanamide Traditional Name: 3-[(6-amino-3,5-dicyano-4-p-cumenyl-2-pyridyl)thio]-N-(p-tolyl)propionamide Formula: C26H25N5OS MolecularWeight: 455.5746

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H25N5OS/c1-16(2)18-6-8-19(9-7-18)24-21(14-27)25(29)31-26(22(24)15-28)33-13-12-23(32)30-20-10-4-17(3)5-11-20/h4-11,16H,12-13H2,1-3H3,(H2,29,31)(H,30,32)