5-ethyl-4-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methyl]-1,2,4-triazole-3-thiolate

Systemtic Name: 5-ethyl-4-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methyl]-1,2,4-triazole-3-thiolate Openeye Name: 5-ethyl-4-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methyl]-1,2,4-triazole-3-thiolate CAS Name: 5-ethyl-4-[[(2S)-1-ethyl-2-pyrrolidin-1-iumyl]methyl]-1,2,4-triazole-3-thiolate IUPAC Name: 5-ethyl-4-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methyl]-1,2,4-triazole-3-thiolate Traditional Name: 5-ethyl-4-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methyl]-1,2,4-triazole-3-thiolate Formula: C11H20N4S MolecularWeight: 240.3683

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NN=C(N1CC2CCC[NH+]2CC)[S-]

Isomeric SMILES

CCC1=NN=C(N1C[C@@H]2CCC[NH+]2CC)[S-]

InChI

InChI=1S/C11H20N4S/c1-3-10-12-13-11(16)15(10)8-9-6-5-7-14(9)4-2/h9H,3-8H2,1-2H3,(H,13,16)/t9-/m0/s1