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

Systemtic Name: 3-ethyl-3-methyl-4-nitro-2-pyrimidin-2-yl-4H-imidazol-3-ium-5-thione Openeye Name: 3-ethyl-3-methyl-4-nitro-2-pyrimidin-2-yl-4H-imidazol-3-ium-5-thione CAS Name: 3-ethyl-3-methyl-4-nitro-2-(2-pyrimidinyl)-4H-imidazol-3-ium-5-thione IUPAC Name: 3-ethyl-3-methyl-4-nitro-2-pyrimidin-2-yl-4H-imidazol-3-ium-5-thione Traditional Name: 1-ethyl-1-methyl-5-nitro-2-(2-pyrimidyl)-2-imidazolin-1-ium-4-thione Formula: C10H12N5O2S+ MolecularWeight: 266.29958

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H12N5O2S/c1-3-15(2)8(7-11-5-4-6-12-7)13-9(18)10(15)14(16)17/h4-6,10H,3H2,1-2H3/q+1