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

Systemtic Name: 4-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methyl]-5-phenyl-1,2,4-triazole-3-thiolate Openeye Name: 4-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methyl]-5-phenyl-1,2,4-triazole-3-thiolate CAS Name: 4-[[(2S)-1-ethyl-2-pyrrolidin-1-iumyl]methyl]-5-phenyl-1,2,4-triazole-3-thiolate IUPAC Name: 4-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methyl]-5-phenyl-1,2,4-triazole-3-thiolate Traditional Name: 4-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methyl]-5-phenyl-1,2,4-triazole-3-thiolate Formula: C15H20N4S MolecularWeight: 288.4111

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H20N4S/c1-2-18-10-6-9-13(18)11-19-14(16-17-15(19)20)12-7-4-3-5-8-12/h3-5,7-8,13H,2,6,9-11H2,1H3,(H,17,20)/t13-/m0/s1