1-[2-[(3,4-dimethoxypyridin-2-yl)methylsulfanyl]-6-methyl-1H-benzimidazol-5-yl]ethanone

Systemtic Name: 1-[2-[(3,4-dimethoxypyridin-2-yl)methylsulfanyl]-6-methyl-1H-benzimidazol-5-yl]ethanone Openeye Name: 1-[2-[(3,4-dimethoxy-2-pyridyl)methylsulfanyl]-6-methyl-1H-benzimidazol-5-yl]ethanone CAS Name: 1-[2-[(3,4-dimethoxy-2-pyridinyl)methylthio]-6-methyl-1H-benzimidazol-5-yl]ethanone IUPAC Name: 1-[2-[(3,4-dimethoxypyridin-2-yl)methylsulfanyl]-6-methyl-1H-benzimidazol-5-yl]ethanone Traditional Name: 1-[2-[(3,4-dimethoxy-2-pyridyl)methylthio]-6-methyl-1H-benzimidazol-5-yl]ethanone Formula: C18H19N3O3S MolecularWeight: 357.42676

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1C(=O)C)N=C(N2)SCC3=NC=CC(=C3OC)OC

Isomeric SMILES

CC1=CC2=C(C=C1C(=O)C)N=C(N2)SCC3=NC=CC(=C3OC)OC

InChI

InChI=1S/C18H19N3O3S/c1-10-7-13-14(8-12(10)11(2)22)21-18(20-13)25-9-15-17(24-4)16(23-3)5-6-19-15/h5-8H,9H2,1-4H3,(H,20,21)