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

Systemtic Name: 5-[(3-bromanyl-4-methoxy-phenyl)methylsulfanyl]-2-methyl-4-nitro-1-(phenylmethyl)imidazole Openeye Name: 1-benzyl-5-[(3-bromo-4-methoxy-phenyl)methylsulfanyl]-2-methyl-4-nitro-imidazole CAS Name: 5-[(3-bromo-4-methoxyphenyl)methylthio]-2-methyl-4-nitro-1-(phenylmethyl)imidazole IUPAC Name: 1-benzyl-5-[(3-bromo-4-methoxyphenyl)methylsulfanyl]-2-methyl-4-nitroimidazole Traditional Name: 1-benzyl-5-[(3-bromo-4-methoxy-benzyl)thio]-2-methyl-4-nitro-imidazole Formula: C19H18BrN3O3S MolecularWeight: 448.33352

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H18BrN3O3S/c1-13-21-18(23(24)25)19(22(13)11-14-6-4-3-5-7-14)27-12-15-8-9-17(26-2)16(20)10-15/h3-10H,11-12H2,1-2H3