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

Systemtic Name: 2-(6-azanyl-3,5-dicyano-pyridin-1-ium-2-yl)sulfanyl-N-[[(2S)-oxolan-2-yl]methyl]ethanamide Openeye Name: 2-(6-amino-3,5-dicyano-pyridin-1-ium-2-yl)sulfanyl-N-[[(2S)-tetrahydrofuran-2-yl]methyl]acetamide CAS Name: 2-[(6-amino-3,5-dicyano-2-pyridin-1-iumyl)thio]-N-[[(2S)-2-oxolanyl]methyl]acetamide IUPAC Name: 2-(6-amino-3,5-dicyanopyridin-1-ium-2-yl)sulfanyl-N-[[(2S)-oxolan-2-yl]methyl]acetamide Traditional Name: 2-[(6-amino-3,5-dicyano-pyridin-1-ium-2-yl)thio]-N-[[(2S)-tetrahydrofuran-2-yl]methyl]acetamide Formula: C14H16N5O2S+ MolecularWeight: 318.37414

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(OC1)CNC(=O)CSC2=C(C=C(C(=[NH+]2)N)C#N)C#N

Isomeric SMILES

C1C[C@H](OC1)CNC(=O)CSC2=C(C=C(C(=[NH+]2)N)C#N)C#N

InChI

InChI=1S/C14H15N5O2S/c15-5-9-4-10(6-16)14(19-13(9)17)22-8-12(20)18-7-11-2-1-3-21-11/h4,11H,1-3,7-8H2,(H2,17,19)(H,18,20)/p+1/t11-/m0/s1