2-[6-azanyl-3,5-dicyano-4-(4-ethylphenyl)pyridin-2-yl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide

Systemtic Name: 2-[6-azanyl-3,5-dicyano-4-(4-ethylphenyl)pyridin-2-yl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide Openeye Name: 2-[[6-amino-3,5-dicyano-4-(4-ethylphenyl)-2-pyridyl]sulfanyl]-N-(5-methylisoxazol-3-yl)propanamide CAS Name: 2-[[6-amino-3,5-dicyano-4-(4-ethylphenyl)-2-pyridinyl]thio]-N-(5-methyl-3-isoxazolyl)propanamide IUPAC Name: 2-[6-amino-3,5-dicyano-4-(4-ethylphenyl)pyridin-2-yl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide Traditional Name: 2-[[6-amino-3,5-dicyano-4-(4-ethylphenyl)-2-pyridyl]thio]-N-(5-methylisoxazol-3-yl)propionamide Formula: C22H20N6O2S MolecularWeight: 432.4982

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H20N6O2S/c1-4-14-5-7-15(8-6-14)19-16(10-23)20(25)27-22(17(19)11-24)31-13(3)21(29)26-18-9-12(2)30-28-18/h5-9,13H,4H2,1-3H3,(H2,25,27)(H,26,28,29)