2-[[3,5-bis(fluoranyl)phenyl]methylsulfanyl]-1-oxidanidyl-pyridin-1-ium

Systemtic Name: 2-[[3,5-bis(fluoranyl)phenyl]methylsulfanyl]-1-oxidanidyl-pyridin-1-ium Openeye Name: 2-[(3,5-difluorophenyl)methylsulfanyl]-1-oxido-pyridin-1-ium CAS Name: 2-[(3,5-difluorophenyl)methylthio]-1-oxidopyridin-1-ium IUPAC Name: 2-[(3,5-difluorophenyl)methylsulfanyl]-1-oxidopyridin-1-ium Traditional Name: 2-[(3,5-difluorobenzyl)thio]-1-oxido-pyridin-1-ium Formula: C12H9F2NOS MolecularWeight: 253.267766

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=[N+](C(=C1)SCC2=CC(=CC(=C2)F)F)[O-]

Isomeric SMILES

C1=CC=[N+](C(=C1)SCC2=CC(=CC(=C2)F)F)[O-]

InChI

InChI=1S/C12H9F2NOS/c13-10-5-9(6-11(14)7-10)8-17-12-3-1-2-4-15(12)16/h1-7H,8H2