2-(1-oxidanylpyridin-1-ium-2-yl)sulfanylethanenitrile

Systemtic Name: 2-(1-oxidanylpyridin-1-ium-2-yl)sulfanylethanenitrile Openeye Name: 2-(1-hydroxypyridin-1-ium-2-yl)sulfanylacetonitrile CAS Name: 2-[(1-hydroxy-2-pyridin-1-iumyl)thio]acetonitrile IUPAC Name: 2-(1-hydroxypyridin-1-ium-2-yl)sulfanylacetonitrile Traditional Name: 2-[(1-hydroxypyridin-1-ium-2-yl)thio]acetonitrile Formula: C7H7N2OS+ MolecularWeight: 167.20828

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=[N+](C(=C1)SCC#N)O

Isomeric SMILES

C1=CC=[N+](C(=C1)SCC#N)O

InChI

InChI=1S/C7H7N2OS/c8-4-6-11-7-3-1-2-5-9(7)10/h1-3,5,10H,6H2/q+1