2-[2-(4-chloranylphenoxy)ethylsulfanyl]-1-(2-methoxyphenyl)-5-nitro-benzimidazole

Systemtic Name: 2-[2-(4-chloranylphenoxy)ethylsulfanyl]-1-(2-methoxyphenyl)-5-nitro-benzimidazole Openeye Name: 2-[2-(4-chlorophenoxy)ethylsulfanyl]-1-(2-methoxyphenyl)-5-nitro-benzimidazole CAS Name: 2-[2-(4-chlorophenoxy)ethylthio]-1-(2-methoxyphenyl)-5-nitrobenzimidazole IUPAC Name: 2-[2-(4-chlorophenoxy)ethylsulfanyl]-1-(2-methoxyphenyl)-5-nitrobenzimidazole Traditional Name: 2-[2-(4-chlorophenoxy)ethylthio]-1-(2-methoxyphenyl)-5-nitro-benzimidazole Formula: C22H18ClN3O4S MolecularWeight: 455.91402

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2C3=C(C=C(C=C3)[N+](=O)[O-])N=C2SCCOC4=CC=C(C=C4)Cl

Isomeric SMILES

COC1=CC=CC=C1N2C3=C(C=C(C=C3)[N+](=O)[O-])N=C2SCCOC4=CC=C(C=C4)Cl

InChI

InChI=1S/C22H18ClN3O4S/c1-29-21-5-3-2-4-20(21)25-19-11-8-16(26(27)28)14-18(19)24-22(25)31-13-12-30-17-9-6-15(23)7-10-17/h2-11,14H,12-13H2,1H3