1-[2,5-dimethyl-1-(2-thiophen-2-ylethyl)pyrrol-3-yl]-2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanyl-ethanone

Systemtic Name: 1-[2,5-dimethyl-1-(2-thiophen-2-ylethyl)pyrrol-3-yl]-2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanyl-ethanone Openeye Name: 1-[2,5-dimethyl-1-[2-(2-thienyl)ethyl]pyrrol-3-yl]-2-(1-oxidopyridin-1-ium-2-yl)sulfanyl-ethanone CAS Name: 1-[2,5-dimethyl-1-(2-thiophen-2-ylethyl)-3-pyrrolyl]-2-[(1-oxido-2-pyridin-1-iumyl)thio]ethanone IUPAC Name: 1-[2,5-dimethyl-1-(2-thiophen-2-ylethyl)pyrrol-3-yl]-2-(1-oxidopyridin-1-ium-2-yl)sulfanylethanone Traditional Name: 1-[2,5-dimethyl-1-[2-(2-thienyl)ethyl]pyrrol-3-yl]-2-[(1-oxidopyridin-1-ium-2-yl)thio]ethanone Formula: C19H20N2O2S2 MolecularWeight: 372.5043

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CCC2=CC=CS2)C)C(=O)CSC3=CC=CC=[N+]3[O-]

Isomeric SMILES

CC1=CC(=C(N1CCC2=CC=CS2)C)C(=O)CSC3=CC=CC=[N+]3[O-]

InChI

InChI=1S/C19H20N2O2S2/c1-14-12-17(15(2)20(14)10-8-16-6-5-11-24-16)18(22)13-25-19-7-3-4-9-21(19)23/h3-7,9,11-12H,8,10,13H2,1-2H3