2-[(4-bromophenyl)methylsulfanyl]-1-(2-methoxyphenyl)-5-nitro-benzimidazole

Systemtic Name: 2-[(4-bromophenyl)methylsulfanyl]-1-(2-methoxyphenyl)-5-nitro-benzimidazole Openeye Name: 2-[(4-bromophenyl)methylsulfanyl]-1-(2-methoxyphenyl)-5-nitro-benzimidazole CAS Name: 2-[(4-bromophenyl)methylthio]-1-(2-methoxyphenyl)-5-nitrobenzimidazole IUPAC Name: 2-[(4-bromophenyl)methylsulfanyl]-1-(2-methoxyphenyl)-5-nitrobenzimidazole Traditional Name: 2-[(4-bromobenzyl)thio]-1-(2-methoxyphenyl)-5-nitro-benzimidazole Formula: C21H16BrN3O3S MolecularWeight: 470.33904

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2C3=C(C=C(C=C3)[N+](=O)[O-])N=C2SCC4=CC=C(C=C4)Br

Isomeric SMILES

COC1=CC=CC=C1N2C3=C(C=C(C=C3)[N+](=O)[O-])N=C2SCC4=CC=C(C=C4)Br

InChI

InChI=1S/C21H16BrN3O3S/c1-28-20-5-3-2-4-19(20)24-18-11-10-16(25(26)27)12-17(18)23-21(24)29-13-14-6-8-15(22)9-7-14/h2-12H,13H2,1H3