(2R)-2-(6-azanyl-3,5-dicyano-pyridin-1-ium-2-yl)sulfanyl-N-cyclopropyl-propanamide

Systemtic Name: (2R)-2-(6-azanyl-3,5-dicyano-pyridin-1-ium-2-yl)sulfanyl-N-cyclopropyl-propanamide Openeye Name: (2R)-2-(6-amino-3,5-dicyano-pyridin-1-ium-2-yl)sulfanyl-N-cyclopropyl-propanamide CAS Name: (2R)-2-[(6-amino-3,5-dicyano-2-pyridin-1-iumyl)thio]-N-cyclopropylpropanamide IUPAC Name: (2R)-2-(6-amino-3,5-dicyanopyridin-1-ium-2-yl)sulfanyl-N-cyclopropylpropanamide Traditional Name: (2R)-2-[(6-amino-3,5-dicyano-pyridin-1-ium-2-yl)thio]-N-cyclopropyl-propionamide Formula: C13H14N5OS+ MolecularWeight: 288.34816

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1CC1)SC2=C(C=C(C(=[NH+]2)N)C#N)C#N

Isomeric SMILES

C[C@H](C(=O)NC1CC1)SC2=C(C=C(C(=[NH+]2)N)C#N)C#N

InChI

InChI=1S/C13H13N5OS/c1-7(12(19)17-10-2-3-10)20-13-9(6-15)4-8(5-14)11(16)18-13/h4,7,10H,2-3H2,1H3,(H2,16,18)(H,17,19)/p+1/t7-/m1/s1