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

Systemtic Name: 5-[(4-methoxy-3-nitro-phenyl)methylsulfanyl]-2-methyl-4-nitro-1-(phenylmethyl)imidazole Openeye Name: 1-benzyl-5-[(4-methoxy-3-nitro-phenyl)methylsulfanyl]-2-methyl-4-nitro-imidazole CAS Name: 5-[(4-methoxy-3-nitrophenyl)methylthio]-2-methyl-4-nitro-1-(phenylmethyl)imidazole IUPAC Name: 1-benzyl-5-[(4-methoxy-3-nitrophenyl)methylsulfanyl]-2-methyl-4-nitroimidazole Traditional Name: 1-benzyl-5-[(4-methoxy-3-nitro-benzyl)thio]-2-methyl-4-nitro-imidazole Formula: C19H18N4O5S MolecularWeight: 414.43502

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H18N4O5S/c1-13-20-18(23(26)27)19(21(13)11-14-6-4-3-5-7-14)29-12-15-8-9-17(28-2)16(10-15)22(24)25/h3-10H,11-12H2,1-2H3