2-[[3-methyl-4-[2,2,3,3,3-pentakis(fluoranyl)propoxy]pyridin-2-yl]methylsulfinyl]-6-pyrrol-1-yl-1H-benzimidazole

Systemtic Name: 2-[[3-methyl-4-[2,2,3,3,3-pentakis(fluoranyl)propoxy]pyridin-2-yl]methylsulfinyl]-6-pyrrol-1-yl-1H-benzimidazole Openeye Name: 2-[[3-methyl-4-(2,2,3,3,3-pentafluoropropoxy)-2-pyridyl]methylsulfinyl]-6-pyrrol-1-yl-1H-benzimidazole CAS Name: 2-[[3-methyl-4-(2,2,3,3,3-pentafluoropropoxy)-2-pyridinyl]methylsulfinyl]-6-(1-pyrrolyl)-1H-benzimidazole IUPAC Name: 2-[[3-methyl-4-(2,2,3,3,3-pentafluoropropoxy)pyridin-2-yl]methylsulfinyl]-6-pyrrol-1-yl-1H-benzimidazole Traditional Name: 2-[[3-methyl-4-(2,2,3,3,3-pentafluoropropoxy)-2-pyridyl]methylsulfinyl]-6-pyrrol-1-yl-1H-benzimidazole Formula: C21H17F5N4O2S MolecularWeight: 484.442296

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CN=C1CS(=O)C2=NC3=C(N2)C=C(C=C3)N4C=CC=C4)OCC(C(F)(F)F)(F)F

Isomeric SMILES

CC1=C(C=CN=C1CS(=O)C2=NC3=C(N2)C=C(C=C3)N4C=CC=C4)OCC(C(F)(F)F)(F)F

InChI

InChI=1S/C21H17F5N4O2S/c1-13-17(27-7-6-18(13)32-12-20(22,23)21(24,25)26)11-33(31)19-28-15-5-4-14(10-16(15)29-19)30-8-2-3-9-30/h2-10H,11-12H2,1H3,(H,28,29)