2-[(3-chloranyl-2-fluoranyl-phenyl)methylsulfanyl]-1-oxidanidyl-pyridin-1-ium

Systemtic Name: 2-[(3-chloranyl-2-fluoranyl-phenyl)methylsulfanyl]-1-oxidanidyl-pyridin-1-ium Openeye Name: 2-[(3-chloro-2-fluoro-phenyl)methylsulfanyl]-1-oxido-pyridin-1-ium CAS Name: 2-[(3-chloro-2-fluorophenyl)methylthio]-1-oxidopyridin-1-ium IUPAC Name: 2-[(3-chloro-2-fluorophenyl)methylsulfanyl]-1-oxidopyridin-1-ium Traditional Name: 2-[(3-chloro-2-fluoro-benzyl)thio]-1-oxido-pyridin-1-ium Formula: C12H9ClFNOS MolecularWeight: 269.722363

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H9ClFNOS/c13-10-5-3-4-9(12(10)14)8-17-11-6-1-2-7-15(11)16/h1-7H,8H2