2-[(2-chloranyl-6-fluoranyl-phenyl)methylsulfanyl]-1-(2-methoxyphenyl)-5-nitro-benzimidazole

Systemtic Name: 2-[(2-chloranyl-6-fluoranyl-phenyl)methylsulfanyl]-1-(2-methoxyphenyl)-5-nitro-benzimidazole Openeye Name: 2-[(2-chloro-6-fluoro-phenyl)methylsulfanyl]-1-(2-methoxyphenyl)-5-nitro-benzimidazole CAS Name: 2-[(2-chloro-6-fluorophenyl)methylthio]-1-(2-methoxyphenyl)-5-nitrobenzimidazole IUPAC Name: 2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-1-(2-methoxyphenyl)-5-nitrobenzimidazole Traditional Name: 2-[(2-chloro-6-fluoro-benzyl)thio]-1-(2-methoxyphenyl)-5-nitro-benzimidazole Formula: C21H15ClFN3O3S MolecularWeight: 443.878503

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2C3=C(C=C(C=C3)[N+](=O)[O-])N=C2SCC4=C(C=CC=C4Cl)F

Isomeric SMILES

COC1=CC=CC=C1N2C3=C(C=C(C=C3)[N+](=O)[O-])N=C2SCC4=C(C=CC=C4Cl)F

InChI

InChI=1S/C21H15ClFN3O3S/c1-29-20-8-3-2-7-19(20)25-18-10-9-13(26(27)28)11-17(18)24-21(25)30-12-14-15(22)5-4-6-16(14)23/h2-11H,12H2,1H3