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

Systemtic Name: 4-[(4-ethoxy-3-nitro-phenyl)methylsulfanyl]-2-methyl-5-nitro-1H-imidazole Openeye Name: 4-[(4-ethoxy-3-nitro-phenyl)methylsulfanyl]-2-methyl-5-nitro-1H-imidazole CAS Name: 4-[(4-ethoxy-3-nitrophenyl)methylthio]-2-methyl-5-nitro-1H-imidazole IUPAC Name: 4-[(4-ethoxy-3-nitrophenyl)methylsulfanyl]-2-methyl-5-nitro-1H-imidazole Traditional Name: 4-[(4-ethoxy-3-nitro-benzyl)thio]-2-methyl-5-nitro-1H-imidazole Formula: C13H14N4O5S MolecularWeight: 338.33906

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)CSC2=C(NC(=N2)C)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CCOC1=C(C=C(C=C1)CSC2=C(NC(=N2)C)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C13H14N4O5S/c1-3-22-11-5-4-9(6-10(11)16(18)19)7-23-13-12(17(20)21)14-8(2)15-13/h4-6H,3,7H2,1-2H3,(H,14,15)