2-[3-[(4-methoxy-3-nitro-phenyl)methyl]-2-methyl-5-nitro-imidazol-4-yl]sulfanyl-1-phenyl-ethanone

Systemtic Name: 2-[3-[(4-methoxy-3-nitro-phenyl)methyl]-2-methyl-5-nitro-imidazol-4-yl]sulfanyl-1-phenyl-ethanone Openeye Name: 2-[3-[(4-methoxy-3-nitro-phenyl)methyl]-2-methyl-5-nitro-imidazol-4-yl]sulfanyl-1-phenyl-ethanone CAS Name: 2-[[3-[(4-methoxy-3-nitrophenyl)methyl]-2-methyl-5-nitro-4-imidazolyl]thio]-1-phenylethanone IUPAC Name: 2-[3-[(4-methoxy-3-nitrophenyl)methyl]-2-methyl-5-nitroimidazol-4-yl]sulfanyl-1-phenylethanone Traditional Name: 2-[[3-(4-methoxy-3-nitro-benzyl)-2-methyl-5-nitro-imidazol-4-yl]thio]-1-phenyl-ethanone Formula: C20H18N4O6S MolecularWeight: 442.44512

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H18N4O6S/c1-13-21-19(24(28)29)20(31-12-17(25)15-6-4-3-5-7-15)22(13)11-14-8-9-18(30-2)16(10-14)23(26)27/h3-10H,11-12H2,1-2H3