4-[(1-oxidanidylpyridin-1-ium-2-yl)sulfanylmethyl]benzenecarbonitrile

Systemtic Name: 4-[(1-oxidanidylpyridin-1-ium-2-yl)sulfanylmethyl]benzenecarbonitrile Openeye Name: 4-[(1-oxidopyridin-1-ium-2-yl)sulfanylmethyl]benzonitrile CAS Name: 4-[[(1-oxido-2-pyridin-1-iumyl)thio]methyl]benzonitrile IUPAC Name: 4-[(1-oxidopyridin-1-ium-2-yl)sulfanylmethyl]benzonitrile Traditional Name: 4-[[(1-oxidopyridin-1-ium-2-yl)thio]methyl]benzonitrile Formula: C13H10N2OS MolecularWeight: 242.2963

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H10N2OS/c14-9-11-4-6-12(7-5-11)10-17-13-3-1-2-8-15(13)16/h1-8H,10H2