3-[6-azanyl-3,5-dicyano-4-(4-ethylphenyl)pyridin-2-yl]sulfanyl-N-(5-chloranyl-2-methyl-phenyl)propanamide

Systemtic Name: 3-[6-azanyl-3,5-dicyano-4-(4-ethylphenyl)pyridin-2-yl]sulfanyl-N-(5-chloranyl-2-methyl-phenyl)propanamide Openeye Name: 3-[[6-amino-3,5-dicyano-4-(4-ethylphenyl)-2-pyridyl]sulfanyl]-N-(5-chloro-2-methyl-phenyl)propanamide CAS Name: 3-[[6-amino-3,5-dicyano-4-(4-ethylphenyl)-2-pyridinyl]thio]-N-(5-chloro-2-methylphenyl)propanamide IUPAC Name: 3-[6-amino-3,5-dicyano-4-(4-ethylphenyl)pyridin-2-yl]sulfanyl-N-(5-chloro-2-methylphenyl)propanamide Traditional Name: 3-[[6-amino-3,5-dicyano-4-(4-ethylphenyl)-2-pyridyl]thio]-N-(5-chloro-2-methyl-phenyl)propionamide Formula: C25H22ClN5OS MolecularWeight: 475.99308

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2=C(C(=NC(=C2C#N)SCCC(=O)NC3=C(C=CC(=C3)Cl)C)N)C#N

Isomeric SMILES

CCC1=CC=C(C=C1)C2=C(C(=NC(=C2C#N)SCCC(=O)NC3=C(C=CC(=C3)Cl)C)N)C#N

InChI

InChI=1S/C25H22ClN5OS/c1-3-16-5-7-17(8-6-16)23-19(13-27)24(29)31-25(20(23)14-28)33-11-10-22(32)30-21-12-18(26)9-4-15(21)2/h4-9,12H,3,10-11H2,1-2H3,(H2,29,31)(H,30,32)