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

Systemtic Name: 1-[(4-methoxy-3-nitro-phenyl)methyl]-2-methyl-4-nitro-5-(phenylmethylsulfanyl)imidazole Openeye Name: 5-benzylsulfanyl-1-[(4-methoxy-3-nitro-phenyl)methyl]-2-methyl-4-nitro-imidazole CAS Name: 1-[(4-methoxy-3-nitrophenyl)methyl]-2-methyl-4-nitro-5-(phenylmethylthio)imidazole IUPAC Name: 5-benzylsulfanyl-1-[(4-methoxy-3-nitrophenyl)methyl]-2-methyl-4-nitroimidazole Traditional Name: 5-(benzylthio)-1-(4-methoxy-3-nitro-benzyl)-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(=C(C=C2)OC)[N+](=O)[O-])SCC3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

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

InChI

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