5-heptoxy-2-[(4-methoxy-3,5-dimethyl-pyridin-2-yl)methylsulfinyl]-4,6-dimethyl-1H-benzimidazole

Systemtic Name: 5-heptoxy-2-[(4-methoxy-3,5-dimethyl-pyridin-2-yl)methylsulfinyl]-4,6-dimethyl-1H-benzimidazole Openeye Name: 5-heptoxy-2-[(4-methoxy-3,5-dimethyl-2-pyridyl)methylsulfinyl]-4,6-dimethyl-1H-benzimidazole CAS Name: 5-heptoxy-2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylsulfinyl]-4,6-dimethyl-1H-benzimidazole IUPAC Name: 5-heptoxy-2-[(4-methoxy-3,5-dimethylpyridin-2-yl)methylsulfinyl]-4,6-dimethyl-1H-benzimidazole Traditional Name: 5-heptoxy-2-[(4-methoxy-3,5-dimethyl-2-pyridyl)methylsulfinyl]-4,6-dimethyl-1H-benzimidazole Formula: C25H35N3O3S MolecularWeight: 457.6287

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC1=C(C2=C(C=C1C)NC(=N2)S(=O)CC3=NC=C(C(=C3C)OC)C)C

Isomeric SMILES

CCCCCCCOC1=C(C2=C(C=C1C)NC(=N2)S(=O)CC3=NC=C(C(=C3C)OC)C)C

InChI

InChI=1S/C25H35N3O3S/c1-7-8-9-10-11-12-31-24-16(2)13-20-22(19(24)5)28-25(27-20)32(29)15-21-18(4)23(30-6)17(3)14-26-21/h13-14H,7-12,15H2,1-6H3,(H,27,28)