(2S)-2-(6-azanyl-3,5-dicyano-pyridin-1-ium-2-yl)sulfanyl-N-(1,3,5-trimethylpyrazol-4-yl)propanamide

Systemtic Name: (2S)-2-(6-azanyl-3,5-dicyano-pyridin-1-ium-2-yl)sulfanyl-N-(1,3,5-trimethylpyrazol-4-yl)propanamide Openeye Name: (2S)-2-(6-amino-3,5-dicyano-pyridin-1-ium-2-yl)sulfanyl-N-(1,3,5-trimethylpyrazol-4-yl)propanamide CAS Name: (2S)-2-[(6-amino-3,5-dicyano-2-pyridin-1-iumyl)thio]-N-(1,3,5-trimethyl-4-pyrazolyl)propanamide IUPAC Name: (2S)-2-(6-amino-3,5-dicyanopyridin-1-ium-2-yl)sulfanyl-N-(1,3,5-trimethylpyrazol-4-yl)propanamide Traditional Name: (2S)-2-[(6-amino-3,5-dicyano-pyridin-1-ium-2-yl)thio]-N-(1,3,5-trimethylpyrazol-4-yl)propionamide Formula: C16H18N7OS+ MolecularWeight: 356.42542

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C)C)NC(=O)C(C)SC2=C(C=C(C(=[NH+]2)N)C#N)C#N

Isomeric SMILES

CC1=C(C(=NN1C)C)NC(=O)[C@H](C)SC2=C(C=C(C(=[NH+]2)N)C#N)C#N

InChI

InChI=1S/C16H17N7OS/c1-8-13(9(2)23(4)22-8)20-15(24)10(3)25-16-12(7-18)5-11(6-17)14(19)21-16/h5,10H,1-4H3,(H2,19,21)(H,20,24)/p+1/t10-/m0/s1