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

Systemtic Name: 4-[(4-methoxy-3-nitro-phenyl)methylsulfanyl]-2-methyl-5-nitro-1H-imidazole Openeye Name: 4-[(4-methoxy-3-nitro-phenyl)methylsulfanyl]-2-methyl-5-nitro-1H-imidazole CAS Name: 4-[(4-methoxy-3-nitrophenyl)methylthio]-2-methyl-5-nitro-1H-imidazole IUPAC Name: 4-[(4-methoxy-3-nitrophenyl)methylsulfanyl]-2-methyl-5-nitro-1H-imidazole Traditional Name: 4-[(4-methoxy-3-nitro-benzyl)thio]-2-methyl-5-nitro-1H-imidazole Formula: C12H12N4O5S MolecularWeight: 324.31248

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C(N1)[N+](=O)[O-])SCC2=CC(=C(C=C2)OC)[N+](=O)[O-]

Isomeric SMILES

CC1=NC(=C(N1)[N+](=O)[O-])SCC2=CC(=C(C=C2)OC)[N+](=O)[O-]

InChI

InChI=1S/C12H12N4O5S/c1-7-13-11(16(19)20)12(14-7)22-6-8-3-4-10(21-2)9(5-8)15(17)18/h3-5H,6H2,1-2H3,(H,13,14)