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

Systemtic Name: 2-(6-azanyl-3,5-dicyano-pyridin-1-ium-2-yl)sulfanyl-N-propan-2-yl-ethanamide Openeye Name: 2-(6-amino-3,5-dicyano-pyridin-1-ium-2-yl)sulfanyl-N-isopropyl-acetamide CAS Name: 2-[(6-amino-3,5-dicyano-2-pyridin-1-iumyl)thio]-N-propan-2-ylacetamide IUPAC Name: 2-(6-amino-3,5-dicyanopyridin-1-ium-2-yl)sulfanyl-N-propan-2-ylacetamide Traditional Name: 2-[(6-amino-3,5-dicyano-pyridin-1-ium-2-yl)thio]-N-isopropyl-acetamide Formula: C12H14N5OS+ MolecularWeight: 276.33746

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H13N5OS/c1-7(2)16-10(18)6-19-12-9(5-14)3-8(4-13)11(15)17-12/h3,7H,6H2,1-2H3,(H2,15,17)(H,16,18)/p+1