2-[(1-oxidanidylpyridin-1-ium-2-yl)sulfinylmethyl]benzenecarbonitrile

Systemtic Name: 2-[(1-oxidanidylpyridin-1-ium-2-yl)sulfinylmethyl]benzenecarbonitrile Openeye Name: 2-[(1-oxidopyridin-1-ium-2-yl)sulfinylmethyl]benzonitrile CAS Name: 2-[(1-oxido-2-pyridin-1-iumyl)sulfinylmethyl]benzonitrile IUPAC Name: 2-[(1-oxidopyridin-1-ium-2-yl)sulfinylmethyl]benzonitrile Traditional Name: 2-[(1-oxidopyridin-1-ium-2-yl)sulfinylmethyl]benzonitrile Formula: C13H10N2O2S MolecularWeight: 258.2957

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)CS(=O)C2=CC=CC=[N+]2[O-])C#N

Isomeric SMILES

C1=CC=C(C(=C1)CS(=O)C2=CC=CC=[N+]2[O-])C#N

InChI

InChI=1S/C13H10N2O2S/c14-9-11-5-1-2-6-12(11)10-18(17)13-7-3-4-8-15(13)16/h1-8H,10H2