2-(6-azanyl-3,5-dicyano-pyridin-1-ium-2-yl)sulfanyl-N-[(S)-phenyl(thiophen-2-yl)methyl]ethanamide

Systemtic Name: 2-(6-azanyl-3,5-dicyano-pyridin-1-ium-2-yl)sulfanyl-N-[(S)-phenyl(thiophen-2-yl)methyl]ethanamide Openeye Name: 2-(6-amino-3,5-dicyano-pyridin-1-ium-2-yl)sulfanyl-N-[(S)-phenyl(2-thienyl)methyl]acetamide CAS Name: 2-[(6-amino-3,5-dicyano-2-pyridin-1-iumyl)thio]-N-[(S)-phenyl(thiophen-2-yl)methyl]acetamide IUPAC Name: 2-(6-amino-3,5-dicyanopyridin-1-ium-2-yl)sulfanyl-N-[(S)-phenyl(thiophen-2-yl)methyl]acetamide Traditional Name: 2-[(6-amino-3,5-dicyano-pyridin-1-ium-2-yl)thio]-N-[(S)-phenyl(2-thienyl)methyl]acetamide Formula: C20H16N5OS2+ MolecularWeight: 406.50394

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(C2=CC=CS2)NC(=O)CSC3=C(C=C(C(=[NH+]3)N)C#N)C#N

Isomeric SMILES

C1=CC=C(C=C1)[C@@H](C2=CC=CS2)NC(=O)CSC3=C(C=C(C(=[NH+]3)N)C#N)C#N

InChI

InChI=1S/C20H15N5OS2/c21-10-14-9-15(11-22)20(25-19(14)23)28-12-17(26)24-18(16-7-4-8-27-16)13-5-2-1-3-6-13/h1-9,18H,12H2,(H2,23,25)(H,24,26)/p+1/t18-/m0/s1