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

Systemtic Name: 1-(4-chlorophenyl)-2-[3-[(4-methoxy-3-nitro-phenyl)methyl]-2-methyl-5-nitro-imidazol-4-yl]sulfanyl-ethanone Openeye Name: 1-(4-chlorophenyl)-2-[3-[(4-methoxy-3-nitro-phenyl)methyl]-2-methyl-5-nitro-imidazol-4-yl]sulfanyl-ethanone CAS Name: 1-(4-chlorophenyl)-2-[[3-[(4-methoxy-3-nitrophenyl)methyl]-2-methyl-5-nitro-4-imidazolyl]thio]ethanone IUPAC Name: 1-(4-chlorophenyl)-2-[3-[(4-methoxy-3-nitrophenyl)methyl]-2-methyl-5-nitroimidazol-4-yl]sulfanylethanone Traditional Name: 1-(4-chlorophenyl)-2-[[3-(4-methoxy-3-nitro-benzyl)-2-methyl-5-nitro-imidazol-4-yl]thio]ethanone Formula: C20H17ClN4O6S MolecularWeight: 476.89018

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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=C(C=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C20H17ClN4O6S/c1-12-22-19(25(29)30)20(32-11-17(26)14-4-6-15(21)7-5-14)23(12)10-13-3-8-18(31-2)16(9-13)24(27)28/h3-9H,10-11H2,1-2H3