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

Systemtic Name: 2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanylethanenitrile Openeye Name: 2-(1-oxidopyridin-1-ium-2-yl)sulfanylacetonitrile CAS Name: 2-[(1-oxido-2-pyridin-1-iumyl)thio]acetonitrile IUPAC Name: 2-(1-oxidopyridin-1-ium-2-yl)sulfanylacetonitrile Traditional Name: 2-[(1-oxidopyridin-1-ium-2-yl)thio]acetonitrile Formula: C7H6N2OS MolecularWeight: 166.20034

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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/C7H6N2OS/c8-4-6-11-7-3-1-2-5-9(7)10/h1-3,5H,6H2