1-(4-ethanoyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanyl-ethanone

Systemtic Name: 1-(4-ethanoyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanyl-ethanone Openeye Name: 1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-(1-oxidopyridin-1-ium-2-yl)sulfanyl-ethanone CAS Name: 1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-[(1-oxido-2-pyridin-1-iumyl)thio]ethanone IUPAC Name: 1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-(1-oxidopyridin-1-ium-2-yl)sulfanylethanone Traditional Name: 1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-[(1-oxidopyridin-1-ium-2-yl)thio]ethanone Formula: C15H16N2O3S MolecularWeight: 304.36414

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=C1C(=O)C)C)C(=O)CSC2=CC=CC=[N+]2[O-]

Isomeric SMILES

CC1=C(NC(=C1C(=O)C)C)C(=O)CSC2=CC=CC=[N+]2[O-]

InChI

InChI=1S/C15H16N2O3S/c1-9-14(11(3)18)10(2)16-15(9)12(19)8-21-13-6-4-5-7-17(13)20/h4-7,16H,8H2,1-3H3