2-(3-methylphenyl)-2-(1-oxidanidylpyridin-1-ium-2-yl)sulfinyl-ethanenitrile

Systemtic Name: 2-(3-methylphenyl)-2-(1-oxidanidylpyridin-1-ium-2-yl)sulfinyl-ethanenitrile Openeye Name: 2-(m-tolyl)-2-(1-oxidopyridin-1-ium-2-yl)sulfinyl-acetonitrile CAS Name: 2-(3-methylphenyl)-2-[(1-oxido-2-pyridin-1-iumyl)sulfinyl]acetonitrile IUPAC Name: 2-(3-methylphenyl)-2-(1-oxidopyridin-1-ium-2-yl)sulfinylacetonitrile Traditional Name: 2-(m-tolyl)-2-(1-oxidopyridin-1-ium-2-yl)sulfinyl-acetonitrile Formula: C14H12N2O2S MolecularWeight: 272.32228

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)C(C#N)S(=O)C2=CC=CC=[N+]2[O-]

Isomeric SMILES

CC1=CC(=CC=C1)C(C#N)S(=O)C2=CC=CC=[N+]2[O-]

InChI

InChI=1S/C14H12N2O2S/c1-11-5-4-6-12(9-11)13(10-15)19(18)14-7-2-3-8-16(14)17/h2-9,13H,1H3