2-methyl-5-nitro-3-[(3-nitro-4-propoxy-phenyl)methyl]imidazole-4-thiol

Systemtic Name: 2-methyl-5-nitro-3-[(3-nitro-4-propoxy-phenyl)methyl]imidazole-4-thiol Openeye Name: 2-methyl-5-nitro-3-[(3-nitro-4-propoxy-phenyl)methyl]imidazole-4-thiol CAS Name: 2-methyl-5-nitro-3-[(3-nitro-4-propoxyphenyl)methyl]-4-imidazolethiol IUPAC Name: 2-methyl-5-nitro-3-[(3-nitro-4-propoxyphenyl)methyl]imidazole-4-thiol Traditional Name: 2-methyl-5-nitro-3-(3-nitro-4-propoxy-benzyl)imidazole-4-thiol Formula: C14H16N4O5S MolecularWeight: 352.36564

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1)CN2C(=NC(=C2S)[N+](=O)[O-])C)[N+](=O)[O-]

Isomeric SMILES

CCCOC1=C(C=C(C=C1)CN2C(=NC(=C2S)[N+](=O)[O-])C)[N+](=O)[O-]

InChI

InChI=1S/C14H16N4O5S/c1-3-6-23-12-5-4-10(7-11(12)17(19)20)8-16-9(2)15-13(14(16)24)18(21)22/h4-5,7,24H,3,6,8H2,1-2H3