3-[(4-methoxy-3-nitro-phenyl)methyl]-2-methyl-5-nitro-imidazole-4-thiolate

Systemtic Name: 3-[(4-methoxy-3-nitro-phenyl)methyl]-2-methyl-5-nitro-imidazole-4-thiolate Openeye Name: 3-[(4-methoxy-3-nitro-phenyl)methyl]-2-methyl-5-nitro-imidazole-4-thiolate CAS Name: 3-[(4-methoxy-3-nitrophenyl)methyl]-2-methyl-5-nitro-4-imidazolethiolate IUPAC Name: 3-[(4-methoxy-3-nitrophenyl)methyl]-2-methyl-5-nitroimidazole-4-thiolate Traditional Name: 3-(4-methoxy-3-nitro-benzyl)-2-methyl-5-nitro-imidazole-4-thiolate Formula: C12H11N4O5S- MolecularWeight: 323.30454

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C(N1CC2=CC(=C(C=C2)OC)[N+](=O)[O-])[S-])[N+](=O)[O-]

Isomeric SMILES

CC1=NC(=C(N1CC2=CC(=C(C=C2)OC)[N+](=O)[O-])[S-])[N+](=O)[O-]

InChI

InChI=1S/C12H12N4O5S/c1-7-13-11(16(19)20)12(22)14(7)6-8-3-4-10(21-2)9(5-8)15(17)18/h3-5,22H,6H2,1-2H3/p-1