2-(6-azanyl-3,5-dicyano-4-phenyl-pyridin-1-ium-2-yl)sulfanyl-N-(4-fluorophenyl)ethanamide

Systemtic Name: 2-(6-azanyl-3,5-dicyano-4-phenyl-pyridin-1-ium-2-yl)sulfanyl-N-(4-fluorophenyl)ethanamide Openeye Name: 2-(6-amino-3,5-dicyano-4-phenyl-pyridin-1-ium-2-yl)sulfanyl-N-(4-fluorophenyl)acetamide CAS Name: 2-[(6-amino-3,5-dicyano-4-phenyl-2-pyridin-1-iumyl)thio]-N-(4-fluorophenyl)acetamide IUPAC Name: 2-(6-amino-3,5-dicyano-4-phenylpyridin-1-ium-2-yl)sulfanyl-N-(4-fluorophenyl)acetamide Traditional Name: 2-[(6-amino-3,5-dicyano-4-phenyl-pyridin-1-ium-2-yl)thio]-N-(4-fluorophenyl)acetamide Formula: C21H15FN5OS+ MolecularWeight: 404.440103

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C(C(=[NH+]C(=C2C#N)SCC(=O)NC3=CC=C(C=C3)F)N)C#N

Isomeric SMILES

C1=CC=C(C=C1)C2=C(C(=[NH+]C(=C2C#N)SCC(=O)NC3=CC=C(C=C3)F)N)C#N

InChI

InChI=1S/C21H14FN5OS/c22-14-6-8-15(9-7-14)26-18(28)12-29-21-17(11-24)19(13-4-2-1-3-5-13)16(10-23)20(25)27-21/h1-9H,12H2,(H2,25,27)(H,26,28)/p+1