2-(6-azanyl-3,5-dicyano-pyridin-1-ium-2-yl)sulfanyl-N-[(1R)-1-cyclopropylethyl]ethanamide

Systemtic Name: 2-(6-azanyl-3,5-dicyano-pyridin-1-ium-2-yl)sulfanyl-N-[(1R)-1-cyclopropylethyl]ethanamide Openeye Name: 2-(6-amino-3,5-dicyano-pyridin-1-ium-2-yl)sulfanyl-N-[(1R)-1-cyclopropylethyl]acetamide CAS Name: 2-[(6-amino-3,5-dicyano-2-pyridin-1-iumyl)thio]-N-[(1R)-1-cyclopropylethyl]acetamide IUPAC Name: 2-(6-amino-3,5-dicyanopyridin-1-ium-2-yl)sulfanyl-N-[(1R)-1-cyclopropylethyl]acetamide Traditional Name: 2-[(6-amino-3,5-dicyano-pyridin-1-ium-2-yl)thio]-N-[(1R)-1-cyclopropylethyl]acetamide Formula: C14H16N5OS+ MolecularWeight: 302.37474

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C1CC1)NC(=O)CSC2=C(C=C(C(=[NH+]2)N)C#N)C#N

Isomeric SMILES

C[C@H](C1CC1)NC(=O)CSC2=C(C=C(C(=[NH+]2)N)C#N)C#N

InChI

InChI=1S/C14H15N5OS/c1-8(9-2-3-9)18-12(20)7-21-14-11(6-16)4-10(5-15)13(17)19-14/h4,8-9H,2-3,7H2,1H3,(H2,17,19)(H,18,20)/p+1/t8-/m1/s1