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

Systemtic Name: 5-cyclopropyl-4-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methyl]-1,2,4-triazole-3-thiolate Openeye Name: 5-cyclopropyl-4-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methyl]-1,2,4-triazole-3-thiolate CAS Name: 5-cyclopropyl-4-[[(2S)-1-ethyl-2-pyrrolidin-1-iumyl]methyl]-1,2,4-triazole-3-thiolate IUPAC Name: 5-cyclopropyl-4-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methyl]-1,2,4-triazole-3-thiolate Traditional Name: 5-cyclopropyl-4-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methyl]-1,2,4-triazole-3-thiolate Formula: C12H20N4S MolecularWeight: 252.379

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCCC1CN2C(=NN=C2[S-])C3CC3

Isomeric SMILES

CC[NH+]1CCC[C@H]1CN2C(=NN=C2[S-])C3CC3

InChI

InChI=1S/C12H20N4S/c1-2-15-7-3-4-10(15)8-16-11(9-5-6-9)13-14-12(16)17/h9-10H,2-8H2,1H3,(H,14,17)/t10-/m0/s1