(2S)-2-(6-azanyl-3,5-dicyano-pyridin-2-yl)sulfanyl-N-[(4-methylphenyl)methyl]propanamide

Systemtic Name: (2S)-2-(6-azanyl-3,5-dicyano-pyridin-2-yl)sulfanyl-N-[(4-methylphenyl)methyl]propanamide Openeye Name: (2S)-2-[(6-amino-3,5-dicyano-2-pyridyl)sulfanyl]-N-(p-tolylmethyl)propanamide CAS Name: (2S)-2-[(6-amino-3,5-dicyano-2-pyridinyl)thio]-N-[(4-methylphenyl)methyl]propanamide IUPAC Name: (2S)-2-(6-amino-3,5-dicyanopyridin-2-yl)sulfanyl-N-[(4-methylphenyl)methyl]propanamide Traditional Name: (2S)-2-[(6-amino-3,5-dicyano-2-pyridyl)thio]-N-(4-methylbenzyl)propionamide Formula: C18H17N5OS MolecularWeight: 351.42548

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CNC(=O)C(C)SC2=C(C=C(C(=N2)N)C#N)C#N

Isomeric SMILES

CC1=CC=C(C=C1)CNC(=O)[C@H](C)SC2=C(C=C(C(=N2)N)C#N)C#N

InChI

InChI=1S/C18H17N5OS/c1-11-3-5-13(6-4-11)10-22-17(24)12(2)25-18-15(9-20)7-14(8-19)16(21)23-18/h3-7,12H,10H2,1-2H3,(H2,21,23)(H,22,24)/t12-/m0/s1