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

Systemtic Name: 3-ethyl-2-(2-methoxy-4H-pyrimidin-3-yl)-3-methyl-4-nitro-4H-imidazol-3-ium-5-thione Openeye Name: 3-ethyl-2-(2-methoxy-4H-pyrimidin-3-yl)-3-methyl-4-nitro-4H-imidazol-3-ium-5-thione CAS Name: 3-ethyl-2-(2-methoxy-4H-pyrimidin-3-yl)-3-methyl-4-nitro-4H-imidazol-3-ium-5-thione IUPAC Name: 3-ethyl-2-(2-methoxy-4H-pyrimidin-3-yl)-3-methyl-4-nitro-4H-imidazol-3-ium-5-thione Traditional Name: 1-ethyl-2-(2-methoxy-4H-pyrimidin-3-yl)-1-methyl-5-nitro-2-imidazolin-1-ium-4-thione Formula: C11H16N5O3S+ MolecularWeight: 298.34144

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1(C(C(=S)N=C1N2CC=CN=C2OC)[N+](=O)[O-])C

Isomeric SMILES

CC[N+]1(C(C(=S)N=C1N2CC=CN=C2OC)[N+](=O)[O-])C

InChI

InChI=1S/C11H16N5O3S/c1-4-16(2)9(15(17)18)8(20)13-10(16)14-7-5-6-12-11(14)19-3/h5-6,9H,4,7H2,1-3H3/q+1