3-ethyl-2-(4-methoxypyrimidin-2-yl)-3-methyl-4-nitro-4H-imidazol-3-ium-5-thione

Systemtic Name: 3-ethyl-2-(4-methoxypyrimidin-2-yl)-3-methyl-4-nitro-4H-imidazol-3-ium-5-thione Openeye Name: 3-ethyl-2-(4-methoxypyrimidin-2-yl)-3-methyl-4-nitro-4H-imidazol-3-ium-5-thione CAS Name: 3-ethyl-2-(4-methoxy-2-pyrimidinyl)-3-methyl-4-nitro-4H-imidazol-3-ium-5-thione IUPAC Name: 3-ethyl-2-(4-methoxypyrimidin-2-yl)-3-methyl-4-nitro-4H-imidazol-3-ium-5-thione Traditional Name: 1-ethyl-2-(4-methoxypyrimidin-2-yl)-1-methyl-5-nitro-2-imidazolin-1-ium-4-thione Formula: C11H14N5O3S+ MolecularWeight: 296.32556

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1(C(C(=S)N=C1C2=NC=CC(=N2)OC)[N+](=O)[O-])C

Isomeric SMILES

CC[N+]1(C(C(=S)N=C1C2=NC=CC(=N2)OC)[N+](=O)[O-])C

InChI

InChI=1S/C11H14N5O3S/c1-4-16(2)9(14-10(20)11(16)15(17)18)8-12-6-5-7(13-8)19-3/h5-6,11H,4H2,1-3H3/q+1