2-[(3,4-dimethoxypyridin-2-yl)methylsulfanyl]-6-(trifluoromethyl)-1H-benzimidazole

Systemtic Name: 2-[(3,4-dimethoxypyridin-2-yl)methylsulfanyl]-6-(trifluoromethyl)-1H-benzimidazole Openeye Name: 2-[(3,4-dimethoxy-2-pyridyl)methylsulfanyl]-6-(trifluoromethyl)-1H-benzimidazole CAS Name: 2-[(3,4-dimethoxy-2-pyridinyl)methylthio]-6-(trifluoromethyl)-1H-benzimidazole IUPAC Name: 2-[(3,4-dimethoxypyridin-2-yl)methylsulfanyl]-6-(trifluoromethyl)-1H-benzimidazole Traditional Name: 2-[(3,4-dimethoxy-2-pyridyl)methylthio]-6-(trifluoromethyl)-1H-benzimidazole Formula: C16H14F3N3O2S MolecularWeight: 369.36147

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=NC=C1)CSC2=NC3=C(N2)C=C(C=C3)C(F)(F)F)OC

Isomeric SMILES

COC1=C(C(=NC=C1)CSC2=NC3=C(N2)C=C(C=C3)C(F)(F)F)OC

InChI

InChI=1S/C16H14F3N3O2S/c1-23-13-5-6-20-12(14(13)24-2)8-25-15-21-10-4-3-9(16(17,18)19)7-11(10)22-15/h3-7H,8H2,1-2H3,(H,21,22)