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

Systemtic Name: 5-[(5-chloranyl-2-ethoxy-phenyl)methylsulfanyl]-1-[(4-methoxy-3-nitro-phenyl)methyl]-2-methyl-4-nitro-imidazole Openeye Name: 5-[(5-chloro-2-ethoxy-phenyl)methylsulfanyl]-1-[(4-methoxy-3-nitro-phenyl)methyl]-2-methyl-4-nitro-imidazole CAS Name: 5-[(5-chloro-2-ethoxyphenyl)methylthio]-1-[(4-methoxy-3-nitrophenyl)methyl]-2-methyl-4-nitroimidazole IUPAC Name: 5-[(5-chloro-2-ethoxyphenyl)methylsulfanyl]-1-[(4-methoxy-3-nitrophenyl)methyl]-2-methyl-4-nitroimidazole Traditional Name: 5-[(5-chloro-2-ethoxy-benzyl)thio]-1-(4-methoxy-3-nitro-benzyl)-2-methyl-4-nitro-imidazole Formula: C21H21ClN4O6S MolecularWeight: 492.93264

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=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

CCOC1=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/C21H21ClN4O6S/c1-4-32-18-8-6-16(22)10-15(18)12-33-21-20(26(29)30)23-13(2)24(21)11-14-5-7-19(31-3)17(9-14)25(27)28/h5-10H,4,11-12H2,1-3H3