(2R)-1-(1H-indol-3-yl)-2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanyl-2-phenyl-ethanone

Systemtic Name: (2R)-1-(1H-indol-3-yl)-2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanyl-2-phenyl-ethanone Openeye Name: (2R)-1-(1H-indol-3-yl)-2-(1-oxidopyridin-1-ium-2-yl)sulfanyl-2-phenyl-ethanone CAS Name: (2R)-1-(1H-indol-3-yl)-2-[(1-oxido-2-pyridin-1-iumyl)thio]-2-phenylethanone IUPAC Name: (2R)-1-(1H-indol-3-yl)-2-(1-oxidopyridin-1-ium-2-yl)sulfanyl-2-phenylethanone Traditional Name: (2R)-1-(1H-indol-3-yl)-2-[(1-oxidopyridin-1-ium-2-yl)thio]-2-phenyl-ethanone Formula: C21H16N2O2S MolecularWeight: 360.42894

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(C(=O)C2=CNC3=CC=CC=C32)SC4=CC=CC=[N+]4[O-]

Isomeric SMILES

C1=CC=C(C=C1)[C@H](C(=O)C2=CNC3=CC=CC=C32)SC4=CC=CC=[N+]4[O-]

InChI

InChI=1S/C21H16N2O2S/c24-20(17-14-22-18-11-5-4-10-16(17)18)21(15-8-2-1-3-9-15)26-19-12-6-7-13-23(19)25/h1-14,21-22H/t21-/m1/s1