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

Systemtic Name: 2-(6-azanyl-3,5-dicyano-pyridin-1-ium-2-yl)sulfanyl-N-[(2-fluorophenyl)methyl]-N-methyl-ethanamide Openeye Name: 2-(6-amino-3,5-dicyano-pyridin-1-ium-2-yl)sulfanyl-N-[(2-fluorophenyl)methyl]-N-methyl-acetamide CAS Name: 2-[(6-amino-3,5-dicyano-2-pyridin-1-iumyl)thio]-N-[(2-fluorophenyl)methyl]-N-methylacetamide IUPAC Name: 2-(6-amino-3,5-dicyanopyridin-1-ium-2-yl)sulfanyl-N-[(2-fluorophenyl)methyl]-N-methylacetamide Traditional Name: 2-[(6-amino-3,5-dicyano-pyridin-1-ium-2-yl)thio]-N-(2-fluorobenzyl)-N-methyl-acetamide Formula: C17H15FN5OS+ MolecularWeight: 356.397303

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=CC=C1F)C(=O)CSC2=C(C=C(C(=[NH+]2)N)C#N)C#N

Isomeric SMILES

CN(CC1=CC=CC=C1F)C(=O)CSC2=C(C=C(C(=[NH+]2)N)C#N)C#N

InChI

InChI=1S/C17H14FN5OS/c1-23(9-11-4-2-3-5-14(11)18)15(24)10-25-17-13(8-20)6-12(7-19)16(21)22-17/h2-6H,9-10H2,1H3,(H2,21,22)/p+1