4-(2-fluorophenyl)-2-[[(2S)-2-phenylpyrrolidin-1-ium-1-yl]methyl]-1,2,4-triazole-3-thione

Systemtic Name: 4-(2-fluorophenyl)-2-[[(2S)-2-phenylpyrrolidin-1-ium-1-yl]methyl]-1,2,4-triazole-3-thione Openeye Name: 4-(2-fluorophenyl)-2-[[(2S)-2-phenylpyrrolidin-1-ium-1-yl]methyl]-1,2,4-triazole-3-thione CAS Name: 4-(2-fluorophenyl)-2-[[(2S)-2-phenyl-1-pyrrolidin-1-iumyl]methyl]-1,2,4-triazole-3-thione IUPAC Name: 4-(2-fluorophenyl)-2-[[(2S)-2-phenylpyrrolidin-1-ium-1-yl]methyl]-1,2,4-triazole-3-thione Traditional Name: 4-(2-fluorophenyl)-2-[[(2S)-2-phenylpyrrolidin-1-ium-1-yl]methyl]-1,2,4-triazole-3-thione Formula: C19H20FN4S+ MolecularWeight: 355.452303

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Descriptors Computed from Structure

Canonical SMILES:

C1CC([NH+](C1)CN2C(=S)N(C=N2)C3=CC=CC=C3F)C4=CC=CC=C4

Isomeric SMILES

C1C[C@H]([NH+](C1)CN2C(=S)N(C=N2)C3=CC=CC=C3F)C4=CC=CC=C4

InChI

InChI=1S/C19H19FN4S/c20-16-9-4-5-10-18(16)23-13-21-24(19(23)25)14-22-12-6-11-17(22)15-7-2-1-3-8-15/h1-5,7-10,13,17H,6,11-12,14H2/p+1/t17-/m0/s1