2-[[1-(4-methylphenyl)-4-bicyclo[2.2.2]octanyl]oxymethyl]-6-pyridin-4-ylsulfanyl-1H-benzimidazole

Systemtic Name: 2-[[1-(4-methylphenyl)-4-bicyclo[2.2.2]octanyl]oxymethyl]-6-pyridin-4-ylsulfanyl-1H-benzimidazole Openeye Name: 2-[[1-(p-tolyl)-4-bicyclo[2.2.2]octanyl]oxymethyl]-6-(4-pyridylsulfanyl)-1H-benzimidazole CAS Name: 2-[[1-(4-methylphenyl)-4-bicyclo[2.2.2]octanyl]oxymethyl]-6-(pyridin-4-ylthio)-1H-benzimidazole IUPAC Name: 2-[[1-(4-methylphenyl)-4-bicyclo[2.2.2]octanyl]oxymethyl]-6-pyridin-4-ylsulfanyl-1H-benzimidazole Traditional Name: 2-[[1-(p-tolyl)-4-bicyclo[2.2.2]octanyl]oxymethyl]-6-(4-pyridylthio)-1H-benzimidazole Formula: C28H29N3OS MolecularWeight: 455.61436

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C23CCC(CC2)(CC3)OCC4=NC5=C(N4)C=C(C=C5)SC6=CC=NC=C6

Isomeric SMILES

CC1=CC=C(C=C1)C23CCC(CC2)(CC3)OCC4=NC5=C(N4)C=C(C=C5)SC6=CC=NC=C6

InChI

InChI=1S/C28H29N3OS/c1-20-2-4-21(5-3-20)27-10-13-28(14-11-27,15-12-27)32-19-26-30-24-7-6-23(18-25(24)31-26)33-22-8-16-29-17-9-22/h2-9,16-18H,10-15,19H2,1H3,(H,30,31)