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

Systemtic Name: 5-phenyl-2-[[(2R)-2-thiophen-2-ylpyrrolidin-1-ium-1-yl]methyl]-1H-1,2,4-triazole-3-thione Openeye Name: 5-phenyl-2-[[(2R)-2-(2-thienyl)pyrrolidin-1-ium-1-yl]methyl]-1H-1,2,4-triazole-3-thione CAS Name: 5-phenyl-2-[[(2R)-2-thiophen-2-yl-1-pyrrolidin-1-iumyl]methyl]-1H-1,2,4-triazole-3-thione IUPAC Name: 5-phenyl-2-[[(2R)-2-thiophen-2-ylpyrrolidin-1-ium-1-yl]methyl]-1H-1,2,4-triazole-3-thione Traditional Name: 5-phenyl-2-[[(2R)-2-(2-thienyl)pyrrolidin-1-ium-1-yl]methyl]-1H-1,2,4-triazole-3-thione Formula: C17H19N4S2+ MolecularWeight: 343.48956

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Descriptors Computed from Structure

Canonical SMILES:

C1CC([NH+](C1)CN2C(=S)N=C(N2)C3=CC=CC=C3)C4=CC=CS4

Isomeric SMILES

C1C[C@@H]([NH+](C1)CN2C(=S)N=C(N2)C3=CC=CC=C3)C4=CC=CS4

InChI

InChI=1S/C17H18N4S2/c22-17-18-16(13-6-2-1-3-7-13)19-21(17)12-20-10-4-8-14(20)15-9-5-11-23-15/h1-3,5-7,9,11,14H,4,8,10,12H2,(H,18,19,22)/p+1/t14-/m1/s1