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

Systemtic Name: 3-ethyl-3-methyl-2-(2-methyl-4H-pyrimidin-3-yl)-4-nitro-4H-imidazol-3-ium-5-thione Openeye Name: 3-ethyl-3-methyl-2-(2-methyl-4H-pyrimidin-3-yl)-4-nitro-4H-imidazol-3-ium-5-thione CAS Name: 3-ethyl-3-methyl-2-(2-methyl-4H-pyrimidin-3-yl)-4-nitro-4H-imidazol-3-ium-5-thione IUPAC Name: 3-ethyl-3-methyl-2-(2-methyl-4H-pyrimidin-3-yl)-4-nitro-4H-imidazol-3-ium-5-thione Traditional Name: 1-ethyl-1-methyl-2-(2-methyl-4H-pyrimidin-3-yl)-5-nitro-2-imidazolin-1-ium-4-thione Formula: C11H16N5O2S+ MolecularWeight: 282.34204

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H16N5O2S/c1-4-16(3)10(15(17)18)9(19)13-11(16)14-7-5-6-12-8(14)2/h5-6,10H,4,7H2,1-3H3/q+1