2-[[3,5-bis(trifluoromethyl)phenoxy]methyl]-6-pyridin-4-ylsulfanyl-1H-benzimidazole

Systemtic Name: 2-[[3,5-bis(trifluoromethyl)phenoxy]methyl]-6-pyridin-4-ylsulfanyl-1H-benzimidazole Openeye Name: 2-[[3,5-bis(trifluoromethyl)phenoxy]methyl]-6-(4-pyridylsulfanyl)-1H-benzimidazole CAS Name: 2-[[3,5-bis(trifluoromethyl)phenoxy]methyl]-6-(pyridin-4-ylthio)-1H-benzimidazole IUPAC Name: 2-[[3,5-bis(trifluoromethyl)phenoxy]methyl]-6-pyridin-4-ylsulfanyl-1H-benzimidazole Traditional Name: 2-[[3,5-bis(trifluoromethyl)phenoxy]methyl]-6-(4-pyridylthio)-1H-benzimidazole Formula: C21H13F6N3OS MolecularWeight: 469.402839

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1SC3=CC=NC=C3)NC(=N2)COC4=CC(=CC(=C4)C(F)(F)F)C(F)(F)F

Isomeric SMILES

C1=CC2=C(C=C1SC3=CC=NC=C3)NC(=N2)COC4=CC(=CC(=C4)C(F)(F)F)C(F)(F)F

InChI

InChI=1S/C21H13F6N3OS/c22-20(23,24)12-7-13(21(25,26)27)9-14(8-12)31-11-19-29-17-2-1-16(10-18(17)30-19)32-15-3-5-28-6-4-15/h1-10H,11H2,(H,29,30)