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

Systemtic Name: 3-[6-azanyl-3,5-dicyano-4-(4-propan-2-ylphenyl)pyridin-2-yl]sulfanyl-N-(4-chlorophenyl)propanamide Openeye Name: 3-[[6-amino-3,5-dicyano-4-(4-isopropylphenyl)-2-pyridyl]sulfanyl]-N-(4-chlorophenyl)propanamide CAS Name: 3-[[6-amino-3,5-dicyano-4-(4-propan-2-ylphenyl)-2-pyridinyl]thio]-N-(4-chlorophenyl)propanamide IUPAC Name: 3-[6-amino-3,5-dicyano-4-(4-propan-2-ylphenyl)pyridin-2-yl]sulfanyl-N-(4-chlorophenyl)propanamide Traditional Name: 3-[(6-amino-3,5-dicyano-4-p-cumenyl-2-pyridyl)thio]-N-(4-chlorophenyl)propionamide Formula: C25H22ClN5OS MolecularWeight: 475.99308

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)C2=C(C(=NC(=C2C#N)SCCC(=O)NC3=CC=C(C=C3)Cl)N)C#N

Isomeric SMILES

CC(C)C1=CC=C(C=C1)C2=C(C(=NC(=C2C#N)SCCC(=O)NC3=CC=C(C=C3)Cl)N)C#N

InChI

InChI=1S/C25H22ClN5OS/c1-15(2)16-3-5-17(6-4-16)23-20(13-27)24(29)31-25(21(23)14-28)33-12-11-22(32)30-19-9-7-18(26)8-10-19/h3-10,15H,11-12H2,1-2H3,(H2,29,31)(H,30,32)