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

Systemtic Name: 3-[6-azanyl-3,5-dicyano-4-(4-ethylphenyl)pyridin-2-yl]sulfanyl-N-(3,4-dimethylphenyl)propanamide Openeye Name: 3-[[6-amino-3,5-dicyano-4-(4-ethylphenyl)-2-pyridyl]sulfanyl]-N-(3,4-dimethylphenyl)propanamide CAS Name: 3-[[6-amino-3,5-dicyano-4-(4-ethylphenyl)-2-pyridinyl]thio]-N-(3,4-dimethylphenyl)propanamide IUPAC Name: 3-[6-amino-3,5-dicyano-4-(4-ethylphenyl)pyridin-2-yl]sulfanyl-N-(3,4-dimethylphenyl)propanamide Traditional Name: 3-[[6-amino-3,5-dicyano-4-(4-ethylphenyl)-2-pyridyl]thio]-N-(3,4-dimethylphenyl)propionamide Formula: C26H25N5OS MolecularWeight: 455.5746

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H25N5OS/c1-4-18-6-8-19(9-7-18)24-21(14-27)25(29)31-26(22(24)15-28)33-12-11-23(32)30-20-10-5-16(2)17(3)13-20/h5-10,13H,4,11-12H2,1-3H3,(H2,29,31)(H,30,32)