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

Systemtic Name: (2S)-2-(6-azanyl-3,5-dicyano-pyridin-1-ium-2-yl)sulfanyl-N-(propan-2-ylcarbamoyl)propanamide Openeye Name: (2S)-2-(6-amino-3,5-dicyano-pyridin-1-ium-2-yl)sulfanyl-N-(isopropylcarbamoyl)propanamide CAS Name: (2S)-2-[(6-amino-3,5-dicyano-2-pyridin-1-iumyl)thio]-N-[oxo-(propan-2-ylamino)methyl]propanamide IUPAC Name: (2S)-2-(6-amino-3,5-dicyanopyridin-1-ium-2-yl)sulfanyl-N-(propan-2-ylcarbamoyl)propanamide Traditional Name: (2S)-2-[(6-amino-3,5-dicyano-pyridin-1-ium-2-yl)thio]-N-(isopropylcarbamoyl)propionamide Formula: C14H17N6O2S+ MolecularWeight: 333.38878

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)NC(=O)C(C)SC1=C(C=C(C(=[NH+]1)N)C#N)C#N

Isomeric SMILES

C[C@@H](C(=O)NC(=O)NC(C)C)SC1=C(C=C(C(=[NH+]1)N)C#N)C#N

InChI

InChI=1S/C14H16N6O2S/c1-7(2)18-14(22)20-12(21)8(3)23-13-10(6-16)4-9(5-15)11(17)19-13/h4,7-8H,1-3H3,(H2,17,19)(H2,18,20,21,22)/p+1/t8-/m0/s1