1-(4-fluorophenyl)-4-(1-oxidanidylpyridin-1-ium-2-yl)sulfanyl-butan-1-one

Systemtic Name: 1-(4-fluorophenyl)-4-(1-oxidanidylpyridin-1-ium-2-yl)sulfanyl-butan-1-one Openeye Name: 1-(4-fluorophenyl)-4-(1-oxidopyridin-1-ium-2-yl)sulfanyl-butan-1-one CAS Name: 1-(4-fluorophenyl)-4-[(1-oxido-2-pyridin-1-iumyl)thio]-1-butanone IUPAC Name: 1-(4-fluorophenyl)-4-(1-oxidopyridin-1-ium-2-yl)sulfanylbutan-1-one Traditional Name: 1-(4-fluorophenyl)-4-[(1-oxidopyridin-1-ium-2-yl)thio]butan-1-one Formula: C15H14FNO2S MolecularWeight: 291.340563

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H14FNO2S/c16-13-8-6-12(7-9-13)14(18)4-3-11-20-15-5-1-2-10-17(15)19/h1-2,5-10H,3-4,11H2