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

Systemtic Name: 2-(6-azanyl-3,5-dicyano-pyridin-1-ium-2-yl)sulfanyl-N-butyl-ethanamide Openeye Name: 2-(6-amino-3,5-dicyano-pyridin-1-ium-2-yl)sulfanyl-N-butyl-acetamide CAS Name: 2-[(6-amino-3,5-dicyano-2-pyridin-1-iumyl)thio]-N-butylacetamide IUPAC Name: 2-(6-amino-3,5-dicyanopyridin-1-ium-2-yl)sulfanyl-N-butylacetamide Traditional Name: 2-[(6-amino-3,5-dicyano-pyridin-1-ium-2-yl)thio]-N-butyl-acetamide Formula: C13H16N5OS+ MolecularWeight: 290.36404

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H15N5OS/c1-2-3-4-17-11(19)8-20-13-10(7-15)5-9(6-14)12(16)18-13/h5H,2-4,8H2,1H3,(H2,16,18)(H,17,19)/p+1