(2S)-2-(6-azanyl-3,5-dicyano-4-phenyl-pyridin-2-yl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)butanamide

Systemtic Name: (2S)-2-(6-azanyl-3,5-dicyano-4-phenyl-pyridin-2-yl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)butanamide Openeye Name: (2S)-2-[(6-amino-3,5-dicyano-4-phenyl-2-pyridyl)sulfanyl]-N-(5-methylisoxazol-3-yl)butanamide CAS Name: (2S)-2-[(6-amino-3,5-dicyano-4-phenyl-2-pyridinyl)thio]-N-(5-methyl-3-isoxazolyl)butanamide IUPAC Name: (2S)-2-(6-amino-3,5-dicyano-4-phenylpyridin-2-yl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)butanamide Traditional Name: (2S)-2-[(6-amino-3,5-dicyano-4-phenyl-2-pyridyl)thio]-N-(5-methylisoxazol-3-yl)butyramide Formula: C21H18N6O2S MolecularWeight: 418.47162

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=NOC(=C1)C)SC2=C(C(=C(C(=N2)N)C#N)C3=CC=CC=C3)C#N

Isomeric SMILES

CC[C@@H](C(=O)NC1=NOC(=C1)C)SC2=C(C(=C(C(=N2)N)C#N)C3=CC=CC=C3)C#N

InChI

InChI=1S/C21H18N6O2S/c1-3-16(20(28)25-17-9-12(2)29-27-17)30-21-15(11-23)18(13-7-5-4-6-8-13)14(10-22)19(24)26-21/h4-9,16H,3H2,1-2H3,(H2,24,26)(H,25,27,28)/t16-/m0/s1