2-(2,5-dimethylphenyl)-2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanyl-ethanenitrile

Systemtic Name: 2-(2,5-dimethylphenyl)-2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanyl-ethanenitrile Openeye Name: 2-(2,5-dimethylphenyl)-2-(1-oxidopyridin-1-ium-2-yl)sulfanyl-acetonitrile CAS Name: 2-(2,5-dimethylphenyl)-2-[(1-oxido-2-pyridin-1-iumyl)thio]acetonitrile IUPAC Name: 2-(2,5-dimethylphenyl)-2-(1-oxidopyridin-1-ium-2-yl)sulfanylacetonitrile Traditional Name: 2-(2,5-dimethylphenyl)-2-[(1-oxidopyridin-1-ium-2-yl)thio]acetonitrile Formula: C15H14N2OS MolecularWeight: 270.34946

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)C(C#N)SC2=CC=CC=[N+]2[O-]

Isomeric SMILES

CC1=CC(=C(C=C1)C)C(C#N)SC2=CC=CC=[N+]2[O-]

InChI

InChI=1S/C15H14N2OS/c1-11-6-7-12(2)13(9-11)14(10-16)19-15-5-3-4-8-17(15)18/h3-9,14H,1-2H3