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

Systemtic Name: 5-[(2-butoxy-5-chloranyl-phenyl)methylsulfanyl]-1-[(4-methoxy-3-nitro-phenyl)methyl]-2-methyl-4-nitro-imidazole Openeye Name: 5-[(2-butoxy-5-chloro-phenyl)methylsulfanyl]-1-[(4-methoxy-3-nitro-phenyl)methyl]-2-methyl-4-nitro-imidazole CAS Name: 5-[(2-butoxy-5-chlorophenyl)methylthio]-1-[(4-methoxy-3-nitrophenyl)methyl]-2-methyl-4-nitroimidazole IUPAC Name: 5-[(2-butoxy-5-chlorophenyl)methylsulfanyl]-1-[(4-methoxy-3-nitrophenyl)methyl]-2-methyl-4-nitroimidazole Traditional Name: 5-[(2-butoxy-5-chloro-benzyl)thio]-1-(4-methoxy-3-nitro-benzyl)-2-methyl-4-nitro-imidazole Formula: C23H25ClN4O6S MolecularWeight: 520.9858

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=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

CCCCOC1=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/C23H25ClN4O6S/c1-4-5-10-34-20-9-7-18(24)12-17(20)14-35-23-22(28(31)32)25-15(2)26(23)13-16-6-8-21(33-3)19(11-16)27(29)30/h6-9,11-12H,4-5,10,13-14H2,1-3H3