2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanyl-1-(1,2,5-trimethylpyrrol-3-yl)ethanone

Systemtic Name: 2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanyl-1-(1,2,5-trimethylpyrrol-3-yl)ethanone Openeye Name: 2-(1-oxidopyridin-1-ium-2-yl)sulfanyl-1-(1,2,5-trimethylpyrrol-3-yl)ethanone CAS Name: 2-[(1-oxido-2-pyridin-1-iumyl)thio]-1-(1,2,5-trimethyl-3-pyrrolyl)ethanone IUPAC Name: 2-(1-oxidopyridin-1-ium-2-yl)sulfanyl-1-(1,2,5-trimethylpyrrol-3-yl)ethanone Traditional Name: 2-[(1-oxidopyridin-1-ium-2-yl)thio]-1-(1,2,5-trimethylpyrrol-3-yl)ethanone Formula: C14H16N2O2S MolecularWeight: 276.35404

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C)C)C(=O)CSC2=CC=CC=[N+]2[O-]

Isomeric SMILES

CC1=CC(=C(N1C)C)C(=O)CSC2=CC=CC=[N+]2[O-]

InChI

InChI=1S/C14H16N2O2S/c1-10-8-12(11(2)15(10)3)13(17)9-19-14-6-4-5-7-16(14)18/h4-8H,9H2,1-3H3