2-[(4-octoxypyridin-2-yl)methylsulfinyl]-1H-benzimidazole

Systemtic Name: 2-[(4-octoxypyridin-2-yl)methylsulfinyl]-1H-benzimidazole Openeye Name: 2-[(4-octoxy-2-pyridyl)methylsulfinyl]-1H-benzimidazole CAS Name: 2-[(4-octoxy-2-pyridinyl)methylsulfinyl]-1H-benzimidazole IUPAC Name: 2-[(4-octoxypyridin-2-yl)methylsulfinyl]-1H-benzimidazole Traditional Name: 2-[(4-octoxy-2-pyridyl)methylsulfinyl]-1H-benzimidazole Formula: C21H27N3O2S MolecularWeight: 385.52298

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=CC(=NC=C1)CS(=O)C2=NC3=CC=CC=C3N2

Isomeric SMILES

CCCCCCCCOC1=CC(=NC=C1)CS(=O)C2=NC3=CC=CC=C3N2

InChI

InChI=1S/C21H27N3O2S/c1-2-3-4-5-6-9-14-26-18-12-13-22-17(15-18)16-27(25)21-23-19-10-7-8-11-20(19)24-21/h7-8,10-13,15H,2-6,9,14,16H2,1H3,(H,23,24)