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

Systemtic Name: 5-phenyl-2-[[(2S)-2-phenylpyrrolidin-1-ium-1-yl]methyl]-1H-1,2,4-triazole-3-thione Openeye Name: 5-phenyl-2-[[(2S)-2-phenylpyrrolidin-1-ium-1-yl]methyl]-1H-1,2,4-triazole-3-thione CAS Name: 5-phenyl-2-[[(2S)-2-phenyl-1-pyrrolidin-1-iumyl]methyl]-1H-1,2,4-triazole-3-thione IUPAC Name: 5-phenyl-2-[[(2S)-2-phenylpyrrolidin-1-ium-1-yl]methyl]-1H-1,2,4-triazole-3-thione Traditional Name: 5-phenyl-2-[[(2S)-2-phenylpyrrolidin-1-ium-1-yl]methyl]-1H-1,2,4-triazole-3-thione Formula: C19H21N4S+ MolecularWeight: 337.46184

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H20N4S/c24-19-20-18(16-10-5-2-6-11-16)21-23(19)14-22-13-7-12-17(22)15-8-3-1-4-9-15/h1-6,8-11,17H,7,12-14H2,(H,20,21,24)/p+1/t17-/m0/s1