5-tert-butyl-2-[[(2S)-2-methylmorpholin-4-ium-4-yl]methyl]-1H-1,2,4-triazole-3-thione

Systemtic Name: 5-tert-butyl-2-[[(2S)-2-methylmorpholin-4-ium-4-yl]methyl]-1H-1,2,4-triazole-3-thione Openeye Name: 5-tert-butyl-2-[[(2S)-2-methylmorpholin-4-ium-4-yl]methyl]-1H-1,2,4-triazole-3-thione CAS Name: 5-tert-butyl-2-[[(2S)-2-methyl-4-morpholin-4-iumyl]methyl]-1H-1,2,4-triazole-3-thione IUPAC Name: 5-tert-butyl-2-[[(2S)-2-methylmorpholin-4-ium-4-yl]methyl]-1H-1,2,4-triazole-3-thione Traditional Name: 5-tert-butyl-2-[[(2S)-2-methylmorpholin-4-ium-4-yl]methyl]-1H-1,2,4-triazole-3-thione Formula: C12H23N4OS+ MolecularWeight: 271.40222

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Descriptors Computed from Structure

Canonical SMILES:

CC1C[NH+](CCO1)CN2C(=S)N=C(N2)C(C)(C)C

Isomeric SMILES

C[C@H]1C[NH+](CCO1)CN2C(=S)N=C(N2)C(C)(C)C

InChI

InChI=1S/C12H22N4OS/c1-9-7-15(5-6-17-9)8-16-11(18)13-10(14-16)12(2,3)4/h9H,5-8H2,1-4H3,(H,13,14,18)/p+1/t9-/m0/s1