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

Systemtic Name: 4-[[(2R)-1-ethylpyrrolidin-1-ium-2-yl]methyl]-5-propyl-1,2,4-triazole-3-thiolate Openeye Name: 4-[[(2R)-1-ethylpyrrolidin-1-ium-2-yl]methyl]-5-propyl-1,2,4-triazole-3-thiolate CAS Name: 4-[[(2R)-1-ethyl-2-pyrrolidin-1-iumyl]methyl]-5-propyl-1,2,4-triazole-3-thiolate IUPAC Name: 4-[[(2R)-1-ethylpyrrolidin-1-ium-2-yl]methyl]-5-propyl-1,2,4-triazole-3-thiolate Traditional Name: 4-[[(2R)-1-ethylpyrrolidin-1-ium-2-yl]methyl]-5-propyl-1,2,4-triazole-3-thiolate Formula: C12H22N4S MolecularWeight: 254.39488

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NN=C(N1CC2CCC[NH+]2CC)[S-]

Isomeric SMILES

CCCC1=NN=C(N1C[C@H]2CCC[NH+]2CC)[S-]

InChI

InChI=1S/C12H22N4S/c1-3-6-11-13-14-12(17)16(11)9-10-7-5-8-15(10)4-2/h10H,3-9H2,1-2H3,(H,14,17)/t10-/m1/s1