1-(2-methoxyphenyl)-5-nitro-2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]benzimidazole

Systemtic Name: 1-(2-methoxyphenyl)-5-nitro-2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]benzimidazole Openeye Name: 1-(2-methoxyphenyl)-5-nitro-2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]benzimidazole CAS Name: 1-(2-methoxyphenyl)-5-nitro-2-[[3-(trifluoromethyl)phenyl]methylthio]benzimidazole IUPAC Name: 1-(2-methoxyphenyl)-5-nitro-2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]benzimidazole Traditional Name: 1-(2-methoxyphenyl)-5-nitro-2-[[3-(trifluoromethyl)benzyl]thio]benzimidazole Formula: C22H16F3N3O3S MolecularWeight: 459.44095

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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(=CC=C4)C(F)(F)F

Isomeric SMILES

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

InChI

InChI=1S/C22H16F3N3O3S/c1-31-20-8-3-2-7-19(20)27-18-10-9-16(28(29)30)12-17(18)26-21(27)32-13-14-5-4-6-15(11-14)22(23,24)25/h2-12H,13H2,1H3