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

Systemtic Name: 4-(4-fluorophenyl)-5-pyridin-4-yl-2-[[(2S)-2-thiophen-2-ylpyrrolidin-1-ium-1-yl]methyl]-1,2,4-triazole-3-thione Openeye Name: 4-(4-fluorophenyl)-5-(4-pyridyl)-2-[[(2S)-2-(2-thienyl)pyrrolidin-1-ium-1-yl]methyl]-1,2,4-triazole-3-thione CAS Name: 4-(4-fluorophenyl)-5-pyridin-4-yl-2-[[(2S)-2-thiophen-2-yl-1-pyrrolidin-1-iumyl]methyl]-1,2,4-triazole-3-thione IUPAC Name: 4-(4-fluorophenyl)-5-pyridin-4-yl-2-[[(2S)-2-thiophen-2-ylpyrrolidin-1-ium-1-yl]methyl]-1,2,4-triazole-3-thione Traditional Name: 4-(4-fluorophenyl)-5-(4-pyridyl)-2-[[(2S)-2-(2-thienyl)pyrrolidin-1-ium-1-yl]methyl]-1,2,4-triazole-3-thione Formula: C22H21FN5S2+ MolecularWeight: 438.564043

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Descriptors Computed from Structure

Canonical SMILES:

C1CC([NH+](C1)CN2C(=S)N(C(=N2)C3=CC=NC=C3)C4=CC=C(C=C4)F)C5=CC=CS5

Isomeric SMILES

C1C[C@H]([NH+](C1)CN2C(=S)N(C(=N2)C3=CC=NC=C3)C4=CC=C(C=C4)F)C5=CC=CS5

InChI

InChI=1S/C22H20FN5S2/c23-17-5-7-18(8-6-17)28-21(16-9-11-24-12-10-16)25-27(22(28)29)15-26-13-1-3-19(26)20-4-2-14-30-20/h2,4-12,14,19H,1,3,13,15H2/p+1/t19-/m0/s1