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

Systemtic Name: 3-ethyl-3-methyl-4-nitro-2-(5-nitropyrimidin-2-yl)-4H-imidazol-3-ium-5-thione Openeye Name: 3-ethyl-3-methyl-4-nitro-2-(5-nitropyrimidin-2-yl)-4H-imidazol-3-ium-5-thione CAS Name: 3-ethyl-3-methyl-4-nitro-2-(5-nitro-2-pyrimidinyl)-4H-imidazol-3-ium-5-thione IUPAC Name: 3-ethyl-3-methyl-4-nitro-2-(5-nitropyrimidin-2-yl)-4H-imidazol-3-ium-5-thione Traditional Name: 1-ethyl-1-methyl-5-nitro-2-(5-nitropyrimidin-2-yl)-2-imidazolin-1-ium-4-thione Formula: C10H11N6O4S+ MolecularWeight: 311.29714

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H11N6O4S/c1-3-16(2)8(13-9(21)10(16)15(19)20)7-11-4-6(5-12-7)14(17)18/h4-5,10H,3H2,1-2H3/q+1