2-[(4-methoxypyridin-2-yl)methylsulfanyl]-5,6-bis(trifluoromethyloxy)-1H-benzimidazole

Systemtic Name: 2-[(4-methoxypyridin-2-yl)methylsulfanyl]-5,6-bis(trifluoromethyloxy)-1H-benzimidazole Openeye Name: 2-[(4-methoxy-2-pyridyl)methylsulfanyl]-5,6-bis(trifluoromethoxy)-1H-benzimidazole CAS Name: 2-[(4-methoxy-2-pyridinyl)methylthio]-5,6-bis(trifluoromethoxy)-1H-benzimidazole IUPAC Name: 2-[(4-methoxypyridin-2-yl)methylsulfanyl]-5,6-bis(trifluoromethoxy)-1H-benzimidazole Traditional Name: 2-[(4-methoxy-2-pyridyl)methylthio]-5,6-bis(trifluoromethoxy)-1H-benzimidazole Formula: C16H11F6N3O3S MolecularWeight: 439.332259

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=NC=C1)CSC2=NC3=CC(=C(C=C3N2)OC(F)(F)F)OC(F)(F)F

Isomeric SMILES

COC1=CC(=NC=C1)CSC2=NC3=CC(=C(C=C3N2)OC(F)(F)F)OC(F)(F)F

InChI

InChI=1S/C16H11F6N3O3S/c1-26-9-2-3-23-8(4-9)7-29-14-24-10-5-12(27-15(17,18)19)13(6-11(10)25-14)28-16(20,21)22/h2-6H,7H2,1H3,(H,24,25)