2-(6-azanyl-3,5-dicyano-pyridin-1-ium-2-yl)sulfanyl-N-[(2S)-3-methylbutan-2-yl]ethanamide

Systemtic Name: 2-(6-azanyl-3,5-dicyano-pyridin-1-ium-2-yl)sulfanyl-N-[(2S)-3-methylbutan-2-yl]ethanamide Openeye Name: 2-(6-amino-3,5-dicyano-pyridin-1-ium-2-yl)sulfanyl-N-[(1S)-1,2-dimethylpropyl]acetamide CAS Name: 2-[(6-amino-3,5-dicyano-2-pyridin-1-iumyl)thio]-N-[(2S)-3-methylbutan-2-yl]acetamide IUPAC Name: 2-(6-amino-3,5-dicyanopyridin-1-ium-2-yl)sulfanyl-N-[(2S)-3-methylbutan-2-yl]acetamide Traditional Name: 2-[(6-amino-3,5-dicyano-pyridin-1-ium-2-yl)thio]-N-[(1S)-1,2-dimethylpropyl]acetamide Formula: C14H18N5OS+ MolecularWeight: 304.39062

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C)NC(=O)CSC1=C(C=C(C(=[NH+]1)N)C#N)C#N

Isomeric SMILES

C[C@@H](C(C)C)NC(=O)CSC1=C(C=C(C(=[NH+]1)N)C#N)C#N

InChI

InChI=1S/C14H17N5OS/c1-8(2)9(3)18-12(20)7-21-14-11(6-16)4-10(5-15)13(17)19-14/h4,8-9H,7H2,1-3H3,(H2,17,19)(H,18,20)/p+1/t9-/m0/s1