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

Systemtic Name: azanium 2-methyl-5-nitro-3-[(3-nitro-4-pentoxy-phenyl)methyl]imidazole-4-thiolate Openeye Name: ammonium 2-methyl-5-nitro-3-[(3-nitro-4-pentoxy-phenyl)methyl]imidazole-4-thiolate CAS Name: ammonium 2-methyl-5-nitro-3-[(3-nitro-4-pentoxyphenyl)methyl]-4-imidazolethiolate IUPAC Name: azanium 2-methyl-5-nitro-3-[(3-nitro-4-pentoxyphenyl)methyl]imidazole-4-thiolate Traditional Name: ammonium 3-(4-amoxy-3-nitro-benzyl)-2-methyl-5-nitro-imidazole-4-thiolate Formula: C16H23N5O5S MolecularWeight: 397.44932

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=C(C=C(C=C1)CN2C(=NC(=C2[S-])[N+](=O)[O-])C)[N+](=O)[O-].[NH4+]

Isomeric SMILES

CCCCCOC1=C(C=C(C=C1)CN2C(=NC(=C2[S-])[N+](=O)[O-])C)[N+](=O)[O-].[NH4+]

InChI

InChI=1S/C16H20N4O5S.H3N/c1-3-4-5-8-25-14-7-6-12(9-13(14)19(21)22)10-18-11(2)17-15(16(18)26)20(23)24;/h6-7,9,26H,3-5,8,10H2,1-2H3;1H3