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

Systemtic Name: 5-[(5-chloranyl-2-propoxy-phenyl)methylsulfanyl]-1-[(4-methoxy-3-nitro-phenyl)methyl]-2-methyl-4-nitro-imidazole Openeye Name: 5-[(5-chloro-2-propoxy-phenyl)methylsulfanyl]-1-[(4-methoxy-3-nitro-phenyl)methyl]-2-methyl-4-nitro-imidazole CAS Name: 5-[(5-chloro-2-propoxyphenyl)methylthio]-1-[(4-methoxy-3-nitrophenyl)methyl]-2-methyl-4-nitroimidazole IUPAC Name: 5-[(5-chloro-2-propoxyphenyl)methylsulfanyl]-1-[(4-methoxy-3-nitrophenyl)methyl]-2-methyl-4-nitroimidazole Traditional Name: 5-[(5-chloro-2-propoxy-benzyl)thio]-1-(4-methoxy-3-nitro-benzyl)-2-methyl-4-nitro-imidazole Formula: C22H23ClN4O6S MolecularWeight: 506.95922

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1)Cl)CSC2=C(N=C(N2CC3=CC(=C(C=C3)OC)[N+](=O)[O-])C)[N+](=O)[O-]

Isomeric SMILES

CCCOC1=C(C=C(C=C1)Cl)CSC2=C(N=C(N2CC3=CC(=C(C=C3)OC)[N+](=O)[O-])C)[N+](=O)[O-]

InChI

InChI=1S/C22H23ClN4O6S/c1-4-9-33-19-8-6-17(23)11-16(19)13-34-22-21(27(30)31)24-14(2)25(22)12-15-5-7-20(32-3)18(10-15)26(28)29/h5-8,10-11H,4,9,12-13H2,1-3H3