1-[2-[1-[3,4-bis[bis(fluoranyl)methoxy]phenyl]-2-(1-oxidanidylpyridin-1-ium-4-yl)ethyl]-1,3-thiazol-5-yl]-1-(5-bromanylpyridin-2-yl)-2,2,2-tris(fluoranyl)ethanol

Systemtic Name: 1-[2-[1-[3,4-bis[bis(fluoranyl)methoxy]phenyl]-2-(1-oxidanidylpyridin-1-ium-4-yl)ethyl]-1,3-thiazol-5-yl]-1-(5-bromanylpyridin-2-yl)-2,2,2-tris(fluoranyl)ethanol Openeye Name: 1-[2-[1-[3,4-bis(difluoromethoxy)phenyl]-2-(1-oxidopyridin-1-ium-4-yl)ethyl]thiazol-5-yl]-1-(5-bromo-2-pyridyl)-2,2,2-trifluoro-ethanol CAS Name: 1-[2-[1-[3,4-bis(difluoromethoxy)phenyl]-2-(1-oxido-4-pyridin-1-iumyl)ethyl]-5-thiazolyl]-1-(5-bromo-2-pyridinyl)-2,2,2-trifluoroethanol IUPAC Name: 1-[2-[1-[3,4-bis(difluoromethoxy)phenyl]-2-(1-oxidopyridin-1-ium-4-yl)ethyl]-1,3-thiazol-5-yl]-1-(5-bromopyridin-2-yl)-2,2,2-trifluoroethanol Traditional Name: 1-[2-[1-[3,4-bis(difluoromethoxy)phenyl]-2-(1-oxidopyridin-1-ium-4-yl)ethyl]thiazol-5-yl]-1-(5-bromo-2-pyridyl)-2,2,2-trifluoro-ethanol Formula: C25H17BrF7N3O4S MolecularWeight: 668.378002

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C(CC2=CC=[N+](C=C2)[O-])C3=NC=C(S3)C(C4=NC=C(C=C4)Br)(C(F)(F)F)O)OC(F)F)OC(F)F

Isomeric SMILES

C1=CC(=C(C=C1C(CC2=CC=[N+](C=C2)[O-])C3=NC=C(S3)C(C4=NC=C(C=C4)Br)(C(F)(F)F)O)OC(F)F)OC(F)F

InChI

InChI=1S/C25H17BrF7N3O4S/c26-15-2-4-19(34-11-15)24(37,25(31,32)33)20-12-35-21(41-20)16(9-13-5-7-36(38)8-6-13)14-1-3-17(39-22(27)28)18(10-14)40-23(29)30/h1-8,10-12,16,22-23,37H,9H2