2-methyl-5-nitro-4-[(3-nitro-4-propoxy-phenyl)methylsulfanyl]-1H-imidazole

Systemtic Name: 2-methyl-5-nitro-4-[(3-nitro-4-propoxy-phenyl)methylsulfanyl]-1H-imidazole Openeye Name: 2-methyl-5-nitro-4-[(3-nitro-4-propoxy-phenyl)methylsulfanyl]-1H-imidazole CAS Name: 2-methyl-5-nitro-4-[(3-nitro-4-propoxyphenyl)methylthio]-1H-imidazole IUPAC Name: 2-methyl-5-nitro-4-[(3-nitro-4-propoxyphenyl)methylsulfanyl]-1H-imidazole Traditional Name: 2-methyl-5-nitro-4-[(3-nitro-4-propoxy-benzyl)thio]-1H-imidazole Formula: C14H16N4O5S MolecularWeight: 352.36564

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1)CSC2=C(NC(=N2)C)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CCCOC1=C(C=C(C=C1)CSC2=C(NC(=N2)C)[N+](=O)[O-])[N+](=O)[O-]

InChI

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