N-[4-[5-(4-fluorophenyl)-3-(2-methylsulfanylethyl)-1-oxidanidyl-imidazol-1-ium-4-yl]pyridin-2-yl]ethanamide

Systemtic Name: N-[4-[5-(4-fluorophenyl)-3-(2-methylsulfanylethyl)-1-oxidanidyl-imidazol-1-ium-4-yl]pyridin-2-yl]ethanamide Openeye Name: N-[4-[5-(4-fluorophenyl)-3-(2-methylsulfanylethyl)-1-oxido-imidazol-1-ium-4-yl]-2-pyridyl]acetamide CAS Name: N-[4-[5-(4-fluorophenyl)-3-[2-(methylthio)ethyl]-1-oxido-4-imidazol-1-iumyl]-2-pyridinyl]acetamide IUPAC Name: N-[4-[5-(4-fluorophenyl)-3-(2-methylsulfanylethyl)-1-oxidoimidazol-1-ium-4-yl]pyridin-2-yl]acetamide Traditional Name: N-[4-[5-(4-fluorophenyl)-3-[2-(methylthio)ethyl]-1-oxido-imidazol-1-ium-4-yl]-2-pyridyl]acetamide Formula: C19H19FN4O2S MolecularWeight: 386.443163

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=NC=CC(=C1)C2=C([N+](=CN2CCSC)[O-])C3=CC=C(C=C3)F

Isomeric SMILES

CC(=O)NC1=NC=CC(=C1)C2=C([N+](=CN2CCSC)[O-])C3=CC=C(C=C3)F

InChI

InChI=1S/C19H19FN4O2S/c1-13(25)22-17-11-15(7-8-21-17)18-19(14-3-5-16(20)6-4-14)24(26)12-23(18)9-10-27-2/h3-8,11-12H,9-10H2,1-2H3,(H,21,22,25)