1-(4-methylphenyl)-2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanyl-ethanone

Systemtic Name: 1-(4-methylphenyl)-2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanyl-ethanone Openeye Name: 2-(1-oxidopyridin-1-ium-2-yl)sulfanyl-1-(p-tolyl)ethanone CAS Name: 1-(4-methylphenyl)-2-[(1-oxido-2-pyridin-1-iumyl)thio]ethanone IUPAC Name: 1-(4-methylphenyl)-2-(1-oxidopyridin-1-ium-2-yl)sulfanylethanone Traditional Name: 2-[(1-oxidopyridin-1-ium-2-yl)thio]-1-(p-tolyl)ethanone Formula: C14H13NO2S MolecularWeight: 259.32352

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)CSC2=CC=CC=[N+]2[O-]

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)CSC2=CC=CC=[N+]2[O-]

InChI

InChI=1S/C14H13NO2S/c1-11-5-7-12(8-6-11)13(16)10-18-14-4-2-3-9-15(14)17/h2-9H,10H2,1H3