2-(6-azanyl-3,5-dicyano-pyridin-2-yl)sulfanyl-N-[(2S)-2-phenylpropyl]ethanamide

Systemtic Name: 2-(6-azanyl-3,5-dicyano-pyridin-2-yl)sulfanyl-N-[(2S)-2-phenylpropyl]ethanamide Openeye Name: 2-[(6-amino-3,5-dicyano-2-pyridyl)sulfanyl]-N-[(2S)-2-phenylpropyl]acetamide CAS Name: 2-[(6-amino-3,5-dicyano-2-pyridinyl)thio]-N-[(2S)-2-phenylpropyl]acetamide IUPAC Name: 2-(6-amino-3,5-dicyanopyridin-2-yl)sulfanyl-N-[(2S)-2-phenylpropyl]acetamide Traditional Name: 2-[(6-amino-3,5-dicyano-2-pyridyl)thio]-N-[(2S)-2-phenylpropyl]acetamide Formula: C18H17N5OS MolecularWeight: 351.42548

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Descriptors Computed from Structure

Canonical SMILES:

CC(CNC(=O)CSC1=C(C=C(C(=N1)N)C#N)C#N)C2=CC=CC=C2

Isomeric SMILES

C[C@H](CNC(=O)CSC1=C(C=C(C(=N1)N)C#N)C#N)C2=CC=CC=C2

InChI

InChI=1S/C18H17N5OS/c1-12(13-5-3-2-4-6-13)10-22-16(24)11-25-18-15(9-20)7-14(8-19)17(21)23-18/h2-7,12H,10-11H2,1H3,(H2,21,23)(H,22,24)/t12-/m1/s1