3-ethyl-3-methyl-4-nitro-2-(5-nitro-1-phenyl-imidazol-2-yl)-4H-imidazol-3-ium-5-thione

Systemtic Name: 3-ethyl-3-methyl-4-nitro-2-(5-nitro-1-phenyl-imidazol-2-yl)-4H-imidazol-3-ium-5-thione Openeye Name: 3-ethyl-3-methyl-4-nitro-2-(5-nitro-1-phenyl-imidazol-2-yl)-4H-imidazol-3-ium-5-thione CAS Name: 3-ethyl-3-methyl-4-nitro-2-(5-nitro-1-phenyl-2-imidazolyl)-4H-imidazol-3-ium-5-thione IUPAC Name: 3-ethyl-3-methyl-4-nitro-2-(5-nitro-1-phenylimidazol-2-yl)-4H-imidazol-3-ium-5-thione Traditional Name: 1-ethyl-1-methyl-5-nitro-2-(5-nitro-1-phenyl-imidazol-2-yl)-2-imidazolin-1-ium-4-thione Formula: C15H15N6O4S+ MolecularWeight: 375.3824

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1(C(C(=S)N=C1C2=NC=C(N2C3=CC=CC=C3)[N+](=O)[O-])[N+](=O)[O-])C

Isomeric SMILES

CC[N+]1(C(C(=S)N=C1C2=NC=C(N2C3=CC=CC=C3)[N+](=O)[O-])[N+](=O)[O-])C

InChI

InChI=1S/C15H15N6O4S/c1-3-21(2)13(17-14(26)15(21)20(24)25)12-16-9-11(19(22)23)18(12)10-7-5-4-6-8-10/h4-9,15H,3H2,1-2H3/q+1