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

Systemtic Name: 4-[(4-butoxy-3-nitro-phenyl)methylsulfanyl]-2-methyl-5-nitro-1H-imidazole Openeye Name: 4-[(4-butoxy-3-nitro-phenyl)methylsulfanyl]-2-methyl-5-nitro-1H-imidazole CAS Name: 4-[(4-butoxy-3-nitrophenyl)methylthio]-2-methyl-5-nitro-1H-imidazole IUPAC Name: 4-[(4-butoxy-3-nitrophenyl)methylsulfanyl]-2-methyl-5-nitro-1H-imidazole Traditional Name: 4-[(4-butoxy-3-nitro-benzyl)thio]-2-methyl-5-nitro-1H-imidazole Formula: C15H18N4O5S MolecularWeight: 366.39222

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1)CSC2=C(NC(=N2)C)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CCCCOC1=C(C=C(C=C1)CSC2=C(NC(=N2)C)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C15H18N4O5S/c1-3-4-7-24-13-6-5-11(8-12(13)18(20)21)9-25-15-14(19(22)23)16-10(2)17-15/h5-6,8H,3-4,7,9H2,1-2H3,(H,16,17)