5-[1-[3,4-bis[bis(fluoranyl)methoxy]phenyl]-2-(1-oxidanidylpyridin-1-ium-4-yl)ethyl]-2-[(4-fluorophenyl)methylsulfanyl]pyridine

Systemtic Name: 5-[1-[3,4-bis[bis(fluoranyl)methoxy]phenyl]-2-(1-oxidanidylpyridin-1-ium-4-yl)ethyl]-2-[(4-fluorophenyl)methylsulfanyl]pyridine Openeye Name: 5-[1-[3,4-bis(difluoromethoxy)phenyl]-2-(1-oxidopyridin-1-ium-4-yl)ethyl]-2-[(4-fluorophenyl)methylsulfanyl]pyridine CAS Name: 5-[1-[3,4-bis(difluoromethoxy)phenyl]-2-(1-oxido-4-pyridin-1-iumyl)ethyl]-2-[(4-fluorophenyl)methylthio]pyridine IUPAC Name: 5-[1-[3,4-bis(difluoromethoxy)phenyl]-2-(1-oxidopyridin-1-ium-4-yl)ethyl]-2-[(4-fluorophenyl)methylsulfanyl]pyridine Traditional Name: 5-[1-[3,4-bis(difluoromethoxy)phenyl]-2-(1-oxidopyridin-1-ium-4-yl)ethyl]-2-[(4-fluorobenzyl)thio]pyridine Formula: C27H21F5N2O3S MolecularWeight: 548.524256

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CSC2=NC=C(C=C2)C(CC3=CC=[N+](C=C3)[O-])C4=CC(=C(C=C4)OC(F)F)OC(F)F)F

Isomeric SMILES

C1=CC(=CC=C1CSC2=NC=C(C=C2)C(CC3=CC=[N+](C=C3)[O-])C4=CC(=C(C=C4)OC(F)F)OC(F)F)F

InChI

InChI=1S/C27H21F5N2O3S/c28-21-5-1-18(2-6-21)16-38-25-8-4-20(15-33-25)22(13-17-9-11-34(35)12-10-17)19-3-7-23(36-26(29)30)24(14-19)37-27(31)32/h1-12,14-15,22,26-27H,13,16H2