2-(2,6-dimethyl-4H-pyrimidin-3-yl)-3-ethyl-3-methyl-4-nitro-4H-imidazol-3-ium-5-thione

Systemtic Name: 2-(2,6-dimethyl-4H-pyrimidin-3-yl)-3-ethyl-3-methyl-4-nitro-4H-imidazol-3-ium-5-thione Openeye Name: 2-(2,6-dimethyl-4H-pyrimidin-3-yl)-3-ethyl-3-methyl-4-nitro-4H-imidazol-3-ium-5-thione CAS Name: 2-(2,6-dimethyl-4H-pyrimidin-3-yl)-3-ethyl-3-methyl-4-nitro-4H-imidazol-3-ium-5-thione IUPAC Name: 2-(2,6-dimethyl-4H-pyrimidin-3-yl)-3-ethyl-3-methyl-4-nitro-4H-imidazol-3-ium-5-thione Traditional Name: 2-(2,6-dimethyl-4H-pyrimidin-3-yl)-1-ethyl-1-methyl-5-nitro-2-imidazolin-1-ium-4-thione Formula: C12H18N5O2S+ MolecularWeight: 296.36862

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1(C(C(=S)N=C1N2CC=C(N=C2C)C)[N+](=O)[O-])C

Isomeric SMILES

CC[N+]1(C(C(=S)N=C1N2CC=C(N=C2C)C)[N+](=O)[O-])C

InChI

InChI=1S/C12H18N5O2S/c1-5-17(4)11(16(18)19)10(20)14-12(17)15-7-6-8(2)13-9(15)3/h6,11H,5,7H2,1-4H3/q+1