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

Systemtic Name: 3-(6-azanyl-3,5-dicyano-4-propan-2-yl-pyridin-2-yl)sulfanyl-N-(2,5-dimethylphenyl)propanamide Openeye Name: 3-[(6-amino-3,5-dicyano-4-isopropyl-2-pyridyl)sulfanyl]-N-(2,5-dimethylphenyl)propanamide CAS Name: 3-[(6-amino-3,5-dicyano-4-propan-2-yl-2-pyridinyl)thio]-N-(2,5-dimethylphenyl)propanamide IUPAC Name: 3-(6-amino-3,5-dicyano-4-propan-2-ylpyridin-2-yl)sulfanyl-N-(2,5-dimethylphenyl)propanamide Traditional Name: 3-[(6-amino-3,5-dicyano-4-isopropyl-2-pyridyl)thio]-N-(2,5-dimethylphenyl)propionamide Formula: C21H23N5OS MolecularWeight: 393.50522

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23N5OS/c1-12(2)19-15(10-22)20(24)26-21(16(19)11-23)28-8-7-18(27)25-17-9-13(3)5-6-14(17)4/h5-6,9,12H,7-8H2,1-4H3,(H2,24,26)(H,25,27)