3-(2-fluorophenyl)-4-(3-morpholin-4-ium-4-ylpropyl)-1H-1,2,4-triazole-5-thione

Systemtic Name: 3-(2-fluorophenyl)-4-(3-morpholin-4-ium-4-ylpropyl)-1H-1,2,4-triazole-5-thione Openeye Name: 3-(2-fluorophenyl)-4-(3-morpholin-4-ium-4-ylpropyl)-1H-1,2,4-triazole-5-thione CAS Name: 3-(2-fluorophenyl)-4-[3-(4-morpholin-4-iumyl)propyl]-1H-1,2,4-triazole-5-thione IUPAC Name: 3-(2-fluorophenyl)-4-(3-morpholin-4-ium-4-ylpropyl)-1H-1,2,4-triazole-5-thione Traditional Name: 3-(2-fluorophenyl)-4-(3-morpholin-4-ium-4-ylpropyl)-1H-1,2,4-triazole-5-thione Formula: C15H20FN4OS+ MolecularWeight: 323.408903

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CCCN2C(=NNC2=S)C3=CC=CC=C3F

Isomeric SMILES

C1COCC[NH+]1CCCN2C(=NNC2=S)C3=CC=CC=C3F

InChI

InChI=1S/C15H19FN4OS/c16-13-5-2-1-4-12(13)14-17-18-15(22)20(14)7-3-6-19-8-10-21-11-9-19/h1-2,4-5H,3,6-11H2,(H,18,22)/p+1