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

Systemtic Name: 5-[(4-fluorophenyl)methylsulfanyl]-1-[(4-methoxy-3-nitro-phenyl)methyl]-2-methyl-4-nitro-imidazole Openeye Name: 5-[(4-fluorophenyl)methylsulfanyl]-1-[(4-methoxy-3-nitro-phenyl)methyl]-2-methyl-4-nitro-imidazole CAS Name: 5-[(4-fluorophenyl)methylthio]-1-[(4-methoxy-3-nitrophenyl)methyl]-2-methyl-4-nitroimidazole IUPAC Name: 5-[(4-fluorophenyl)methylsulfanyl]-1-[(4-methoxy-3-nitrophenyl)methyl]-2-methyl-4-nitroimidazole Traditional Name: 5-[(4-fluorobenzyl)thio]-1-(4-methoxy-3-nitro-benzyl)-2-methyl-4-nitro-imidazole Formula: C19H17FN4O5S MolecularWeight: 432.425483

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C(N1CC2=CC(=C(C=C2)OC)[N+](=O)[O-])SCC3=CC=C(C=C3)F)[N+](=O)[O-]

Isomeric SMILES

CC1=NC(=C(N1CC2=CC(=C(C=C2)OC)[N+](=O)[O-])SCC3=CC=C(C=C3)F)[N+](=O)[O-]

InChI

InChI=1S/C19H17FN4O5S/c1-12-21-18(24(27)28)19(30-11-13-3-6-15(20)7-4-13)22(12)10-14-5-8-17(29-2)16(9-14)23(25)26/h3-9H,10-11H2,1-2H3