4-[[(2S)-oxolan-2-yl]methyl]-2-(pyrrolidin-1-ium-1-ylmethyl)-5-thiophen-2-yl-1,2,4-triazole-3-thione

Systemtic Name: 4-[[(2S)-oxolan-2-yl]methyl]-2-(pyrrolidin-1-ium-1-ylmethyl)-5-thiophen-2-yl-1,2,4-triazole-3-thione Openeye Name: 2-(pyrrolidin-1-ium-1-ylmethyl)-4-[[(2S)-tetrahydrofuran-2-yl]methyl]-5-(2-thienyl)-1,2,4-triazole-3-thione CAS Name: 4-[[(2S)-2-oxolanyl]methyl]-2-(1-pyrrolidin-1-iumylmethyl)-5-thiophen-2-yl-1,2,4-triazole-3-thione IUPAC Name: 4-[[(2S)-oxolan-2-yl]methyl]-2-(pyrrolidin-1-ium-1-ylmethyl)-5-thiophen-2-yl-1,2,4-triazole-3-thione Traditional Name: 2-(pyrrolidin-1-ium-1-ylmethyl)-4-[[(2S)-tetrahydrofuran-2-yl]methyl]-5-(2-thienyl)-1,2,4-triazole-3-thione Formula: C16H23N4OS2+ MolecularWeight: 351.51002

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CN2C(=S)N(C(=N2)C3=CC=CS3)CC4CCCO4

Isomeric SMILES

C1CC[NH+](C1)CN2C(=S)N(C(=N2)C3=CC=CS3)C[C@@H]4CCCO4

InChI

InChI=1S/C16H22N4OS2/c22-16-19(11-13-5-3-9-21-13)15(14-6-4-10-23-14)17-20(16)12-18-7-1-2-8-18/h4,6,10,13H,1-3,5,7-9,11-12H2/p+1/t13-/m0/s1