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

Systemtic Name: 1,2-bis(4-methylphenyl)-2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanyl-ethanone Openeye Name: 2-(1-oxidopyridin-1-ium-2-yl)sulfanyl-1,2-bis(p-tolyl)ethanone CAS Name: 1,2-bis(4-methylphenyl)-2-[(1-oxido-2-pyridin-1-iumyl)thio]ethanone IUPAC Name: 1,2-bis(4-methylphenyl)-2-(1-oxidopyridin-1-ium-2-yl)sulfanylethanone Traditional Name: 2-[(1-oxidopyridin-1-ium-2-yl)thio]-1,2-bis(p-tolyl)ethanone Formula: C21H19NO2S MolecularWeight: 349.44606

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(C(=O)C2=CC=C(C=C2)C)SC3=CC=CC=[N+]3[O-]

Isomeric SMILES

CC1=CC=C(C=C1)C(C(=O)C2=CC=C(C=C2)C)SC3=CC=CC=[N+]3[O-]

InChI

InChI=1S/C21H19NO2S/c1-15-6-10-17(11-7-15)20(23)21(18-12-8-16(2)9-13-18)25-19-5-3-4-14-22(19)24/h3-14,21H,1-2H3