(2E)-1-ethyl-1-methyl-5-nitro-2-(4-nitroimidazol-2-ylidene)imidazolidin-1-ium-4-thione

Systemtic Name: (2E)-1-ethyl-1-methyl-5-nitro-2-(4-nitroimidazol-2-ylidene)imidazolidin-1-ium-4-thione Openeye Name: (2E)-1-ethyl-1-methyl-5-nitro-2-(4-nitroimidazol-2-ylidene)imidazolidin-1-ium-4-thione CAS Name: (2E)-1-ethyl-1-methyl-5-nitro-2-(4-nitro-2-imidazolylidene)-4-imidazolidin-1-iumthione IUPAC Name: (2E)-1-ethyl-1-methyl-5-nitro-2-(4-nitroimidazol-2-ylidene)imidazolidin-1-ium-4-thione Traditional Name: (2E)-1-ethyl-1-methyl-5-nitro-2-(4-nitroimidazol-2-ylidene)imidazolidin-1-ium-4-thione Formula: C9H11N6O4S+ MolecularWeight: 299.28644

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1(C(C(=S)NC1=C2N=CC(=N2)[N+](=O)[O-])[N+](=O)[O-])C

Isomeric SMILES

CC[N+]\1(C(C(=S)N/C1=C\2/N=CC(=N2)[N+](=O)[O-])[N+](=O)[O-])C

InChI

InChI=1S/C9H10N6O4S/c1-3-15(2)7(12-8(20)9(15)14(18)19)6-10-4-5(11-6)13(16)17/h4,9H,3H2,1-2H3/p+1