2-(4-fluorophenyl)-2-(1-oxidanidylpyridin-1-ium-2-yl)sulfinyl-ethanenitrile

Systemtic Name: 2-(4-fluorophenyl)-2-(1-oxidanidylpyridin-1-ium-2-yl)sulfinyl-ethanenitrile Openeye Name: 2-(4-fluorophenyl)-2-(1-oxidopyridin-1-ium-2-yl)sulfinyl-acetonitrile CAS Name: 2-(4-fluorophenyl)-2-[(1-oxido-2-pyridin-1-iumyl)sulfinyl]acetonitrile IUPAC Name: 2-(4-fluorophenyl)-2-(1-oxidopyridin-1-ium-2-yl)sulfinylacetonitrile Traditional Name: 2-(4-fluorophenyl)-2-(1-oxidopyridin-1-ium-2-yl)sulfinyl-acetonitrile Formula: C13H9FN2O2S MolecularWeight: 276.286163

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H9FN2O2S/c14-11-6-4-10(5-7-11)12(9-15)19(18)13-3-1-2-8-16(13)17/h1-8,12H