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

Systemtic Name: 1-(7-ethyl-1H-indol-3-yl)-2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanyl-ethanone Openeye Name: 1-(7-ethyl-1H-indol-3-yl)-2-(1-oxidopyridin-1-ium-2-yl)sulfanyl-ethanone CAS Name: 1-(7-ethyl-1H-indol-3-yl)-2-[(1-oxido-2-pyridin-1-iumyl)thio]ethanone IUPAC Name: 1-(7-ethyl-1H-indol-3-yl)-2-(1-oxidopyridin-1-ium-2-yl)sulfanylethanone Traditional Name: 1-(7-ethyl-1H-indol-3-yl)-2-[(1-oxidopyridin-1-ium-2-yl)thio]ethanone Formula: C17H16N2O2S MolecularWeight: 312.38614

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC2=C1NC=C2C(=O)CSC3=CC=CC=[N+]3[O-]

Isomeric SMILES

CCC1=CC=CC2=C1NC=C2C(=O)CSC3=CC=CC=[N+]3[O-]

InChI

InChI=1S/C17H16N2O2S/c1-2-12-6-5-7-13-14(10-18-17(12)13)15(20)11-22-16-8-3-4-9-19(16)21/h3-10,18H,2,11H2,1H3