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

Systemtic Name: azanium 3-[(4-methoxy-3-nitro-phenyl)methyl]-2-methyl-5-nitro-imidazole-4-thiolate Openeye Name: ammonium 3-[(4-methoxy-3-nitro-phenyl)methyl]-2-methyl-5-nitro-imidazole-4-thiolate CAS Name: ammonium 3-[(4-methoxy-3-nitrophenyl)methyl]-2-methyl-5-nitro-4-imidazolethiolate IUPAC Name: azanium 3-[(4-methoxy-3-nitrophenyl)methyl]-2-methyl-5-nitroimidazole-4-thiolate Traditional Name: ammonium 3-(4-methoxy-3-nitro-benzyl)-2-methyl-5-nitro-imidazole-4-thiolate Formula: C12H15N5O5S MolecularWeight: 341.343

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C(N1CC2=CC(=C(C=C2)OC)[N+](=O)[O-])[S-])[N+](=O)[O-].[NH4+]

Isomeric SMILES

CC1=NC(=C(N1CC2=CC(=C(C=C2)OC)[N+](=O)[O-])[S-])[N+](=O)[O-].[NH4+]

InChI

InChI=1S/C12H12N4O5S.H3N/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;1H3