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

Systemtic Name: 3-(6-azanyl-3,5-dicyano-4-propan-2-yl-pyridin-2-yl)sulfanyl-N-(2-ethyl-6-methyl-phenyl)propanamide Openeye Name: 3-[(6-amino-3,5-dicyano-4-isopropyl-2-pyridyl)sulfanyl]-N-(2-ethyl-6-methyl-phenyl)propanamide CAS Name: 3-[(6-amino-3,5-dicyano-4-propan-2-yl-2-pyridinyl)thio]-N-(2-ethyl-6-methylphenyl)propanamide IUPAC Name: 3-(6-amino-3,5-dicyano-4-propan-2-ylpyridin-2-yl)sulfanyl-N-(2-ethyl-6-methylphenyl)propanamide Traditional Name: 3-[(6-amino-3,5-dicyano-4-isopropyl-2-pyridyl)thio]-N-(2-ethyl-6-methyl-phenyl)propionamide Formula: C22H25N5OS MolecularWeight: 407.5318

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC(=C1NC(=O)CCSC2=C(C(=C(C(=N2)N)C#N)C(C)C)C#N)C

Isomeric SMILES

CCC1=CC=CC(=C1NC(=O)CCSC2=C(C(=C(C(=N2)N)C#N)C(C)C)C#N)C

InChI

InChI=1S/C22H25N5OS/c1-5-15-8-6-7-14(4)20(15)26-18(28)9-10-29-22-17(12-24)19(13(2)3)16(11-23)21(25)27-22/h6-8,13H,5,9-10H2,1-4H3,(H2,25,27)(H,26,28)