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

Systemtic Name: 3-ethyl-3-methyl-2-(4-methylpyrimidin-2-yl)-4-nitro-4H-imidazol-3-ium-5-thione Openeye Name: 3-ethyl-3-methyl-2-(4-methylpyrimidin-2-yl)-4-nitro-4H-imidazol-3-ium-5-thione CAS Name: 3-ethyl-3-methyl-2-(4-methyl-2-pyrimidinyl)-4-nitro-4H-imidazol-3-ium-5-thione IUPAC Name: 3-ethyl-3-methyl-2-(4-methylpyrimidin-2-yl)-4-nitro-4H-imidazol-3-ium-5-thione Traditional Name: 1-ethyl-1-methyl-2-(4-methylpyrimidin-2-yl)-5-nitro-2-imidazolin-1-ium-4-thione Formula: C11H14N5O2S+ MolecularWeight: 280.32616

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H14N5O2S/c1-4-16(3)9(8-12-6-5-7(2)13-8)14-10(19)11(16)15(17)18/h5-6,11H,4H2,1-3H3/q+1