1-(7-ethyl-1H-indol-3-yl)-2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanyl-2-phenyl-ethanone

Systemtic Name: 1-(7-ethyl-1H-indol-3-yl)-2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanyl-2-phenyl-ethanone Openeye Name: 1-(7-ethyl-1H-indol-3-yl)-2-(1-oxidopyridin-1-ium-2-yl)sulfanyl-2-phenyl-ethanone CAS Name: 1-(7-ethyl-1H-indol-3-yl)-2-[(1-oxido-2-pyridin-1-iumyl)thio]-2-phenylethanone IUPAC Name: 1-(7-ethyl-1H-indol-3-yl)-2-(1-oxidopyridin-1-ium-2-yl)sulfanyl-2-phenylethanone Traditional Name: 1-(7-ethyl-1H-indol-3-yl)-2-[(1-oxidopyridin-1-ium-2-yl)thio]-2-phenyl-ethanone Formula: C23H20N2O2S MolecularWeight: 388.4821

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC2=C1NC=C2C(=O)C(C3=CC=CC=C3)SC4=CC=CC=[N+]4[O-]

Isomeric SMILES

CCC1=CC=CC2=C1NC=C2C(=O)C(C3=CC=CC=C3)SC4=CC=CC=[N+]4[O-]

InChI

InChI=1S/C23H20N2O2S/c1-2-16-11-8-12-18-19(15-24-21(16)18)22(26)23(17-9-4-3-5-10-17)28-20-13-6-7-14-25(20)27/h3-15,23-24H,2H2,1H3