1-(2,3-dihydroindol-1-yl)-2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanyl-propan-1-one

Systemtic Name: 1-(2,3-dihydroindol-1-yl)-2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanyl-propan-1-one Openeye Name: 1-indolin-1-yl-2-(1-oxidopyridin-1-ium-2-yl)sulfanyl-propan-1-one CAS Name: 1-(2,3-dihydroindol-1-yl)-2-[(1-oxido-2-pyridin-1-iumyl)thio]-1-propanone IUPAC Name: 1-(2,3-dihydroindol-1-yl)-2-(1-oxidopyridin-1-ium-2-yl)sulfanylpropan-1-one Traditional Name: 1-indolin-1-yl-2-[(1-oxidopyridin-1-ium-2-yl)thio]propan-1-one Formula: C16H16N2O2S MolecularWeight: 300.37544

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCC2=CC=CC=C21)SC3=CC=CC=[N+]3[O-]

Isomeric SMILES

CC(C(=O)N1CCC2=CC=CC=C21)SC3=CC=CC=[N+]3[O-]

InChI

InChI=1S/C16H16N2O2S/c1-12(21-15-8-4-5-10-18(15)20)16(19)17-11-9-13-6-2-3-7-14(13)17/h2-8,10,12H,9,11H2,1H3