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

Systemtic Name: 4-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methyl]-5-thiophen-2-yl-1,2,4-triazole-3-thiolate Openeye Name: 4-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methyl]-5-(2-thienyl)-1,2,4-triazole-3-thiolate CAS Name: 4-[[(2S)-1-ethyl-2-pyrrolidin-1-iumyl]methyl]-5-thiophen-2-yl-1,2,4-triazole-3-thiolate IUPAC Name: 4-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methyl]-5-thiophen-2-yl-1,2,4-triazole-3-thiolate Traditional Name: 4-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methyl]-5-(2-thienyl)-1,2,4-triazole-3-thiolate Formula: C13H18N4S2 MolecularWeight: 294.43882

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCCC1CN2C(=NN=C2[S-])C3=CC=CS3

Isomeric SMILES

CC[NH+]1CCC[C@H]1CN2C(=NN=C2[S-])C3=CC=CS3

InChI

InChI=1S/C13H18N4S2/c1-2-16-7-3-5-10(16)9-17-12(14-15-13(17)18)11-6-4-8-19-11/h4,6,8,10H,2-3,5,7,9H2,1H3,(H,15,18)/t10-/m0/s1