6-[bis(fluoranyl)methoxy]-2-[(2-ethoxy-6-pentadecyl-phenyl)methylsulfanyl]-1H-benzimidazole

Systemtic Name: 6-[bis(fluoranyl)methoxy]-2-[(2-ethoxy-6-pentadecyl-phenyl)methylsulfanyl]-1H-benzimidazole Openeye Name: 6-(difluoromethoxy)-2-[(2-ethoxy-6-pentadecyl-phenyl)methylsulfanyl]-1H-benzimidazole CAS Name: 6-(difluoromethoxy)-2-[(2-ethoxy-6-pentadecylphenyl)methylthio]-1H-benzimidazole IUPAC Name: 6-(difluoromethoxy)-2-[(2-ethoxy-6-pentadecylphenyl)methylsulfanyl]-1H-benzimidazole Traditional Name: 6-(difluoromethoxy)-2-[(2-ethoxy-6-pentadecyl-benzyl)thio]-1H-benzimidazole Formula: C32H46F2N2O2S MolecularWeight: 560.781646

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC1=C(C(=CC=C1)OCC)CSC2=NC3=C(N2)C=C(C=C3)OC(F)F

Isomeric SMILES

CCCCCCCCCCCCCCCC1=C(C(=CC=C1)OCC)CSC2=NC3=C(N2)C=C(C=C3)OC(F)F

InChI

InChI=1S/C32H46F2N2O2S/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-18-25-19-17-20-30(37-4-2)27(25)24-39-32-35-28-22-21-26(38-31(33)34)23-29(28)36-32/h17,19-23,31H,3-16,18,24H2,1-2H3,(H,35,36)