[2-nitro-4-(trifluoromethyl)phenyl] 4-(1H-benzimidazol-2-ylsulfanylmethyl)benzoate

Systemtic Name: [2-nitro-4-(trifluoromethyl)phenyl] 4-(1H-benzimidazol-2-ylsulfanylmethyl)benzoate Openeye Name: [2-nitro-4-(trifluoromethyl)phenyl] 4-(1H-benzimidazol-2-ylsulfanylmethyl)benzoate CAS Name: 4-[(1H-benzimidazol-2-ylthio)methyl]benzoic acid [2-nitro-4-(trifluoromethyl)phenyl] ester IUPAC Name: [2-nitro-4-(trifluoromethyl)phenyl] 4-(1H-benzimidazol-2-ylsulfanylmethyl)benzoate Traditional Name: 4-[(1H-benzimidazol-2-ylthio)methyl]benzoic acid [2-nitro-4-(trifluoromethyl)phenyl] ester Formula: C22H14F3N3O4S MolecularWeight: 473.42447

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)NC(=N2)SCC3=CC=C(C=C3)C(=O)OC4=C(C=C(C=C4)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)NC(=N2)SCC3=CC=C(C=C3)C(=O)OC4=C(C=C(C=C4)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C22H14F3N3O4S/c23-22(24,25)15-9-10-19(18(11-15)28(30)31)32-20(29)14-7-5-13(6-8-14)12-33-21-26-16-3-1-2-4-17(16)27-21/h1-11H,12H2,(H,26,27)