5-(4-fluorophenyl)-4-methyl-2-[[(2R)-2-thiophen-2-ylpyrrolidin-1-ium-1-yl]methyl]-1,2,4-triazole-3-thione

Systemtic Name: 5-(4-fluorophenyl)-4-methyl-2-[[(2R)-2-thiophen-2-ylpyrrolidin-1-ium-1-yl]methyl]-1,2,4-triazole-3-thione Openeye Name: 5-(4-fluorophenyl)-4-methyl-2-[[(2R)-2-(2-thienyl)pyrrolidin-1-ium-1-yl]methyl]-1,2,4-triazole-3-thione CAS Name: 5-(4-fluorophenyl)-4-methyl-2-[[(2R)-2-thiophen-2-yl-1-pyrrolidin-1-iumyl]methyl]-1,2,4-triazole-3-thione IUPAC Name: 5-(4-fluorophenyl)-4-methyl-2-[[(2R)-2-thiophen-2-ylpyrrolidin-1-ium-1-yl]methyl]-1,2,4-triazole-3-thione Traditional Name: 5-(4-fluorophenyl)-4-methyl-2-[[(2R)-2-(2-thienyl)pyrrolidin-1-ium-1-yl]methyl]-1,2,4-triazole-3-thione Formula: C18H20FN4S2+ MolecularWeight: 375.506603

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN(C1=S)C[NH+]2CCCC2C3=CC=CS3)C4=CC=C(C=C4)F

Isomeric SMILES

CN1C(=NN(C1=S)C[NH+]2CCC[C@@H]2C3=CC=CS3)C4=CC=C(C=C4)F

InChI

InChI=1S/C18H19FN4S2/c1-21-17(13-6-8-14(19)9-7-13)20-23(18(21)24)12-22-10-2-4-15(22)16-5-3-11-25-16/h3,5-9,11,15H,2,4,10,12H2,1H3/p+1/t15-/m1/s1