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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H22N4S/c1-4-15-7-5-6-10(15)8-16-11(9(2)3)13-14-12(16)17/h9-10H,4-8H2,1-3H3,(H,14,17)/t10-/m0/s1