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

Systemtic Name: 1-[1-[(2-chlorophenyl)methyl]-2,5-dimethyl-pyrrol-3-yl]-2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanyl-ethanone Openeye Name: 1-[1-[(2-chlorophenyl)methyl]-2,5-dimethyl-pyrrol-3-yl]-2-(1-oxidopyridin-1-ium-2-yl)sulfanyl-ethanone CAS Name: 1-[1-[(2-chlorophenyl)methyl]-2,5-dimethyl-3-pyrrolyl]-2-[(1-oxido-2-pyridin-1-iumyl)thio]ethanone IUPAC Name: 1-[1-[(2-chlorophenyl)methyl]-2,5-dimethylpyrrol-3-yl]-2-(1-oxidopyridin-1-ium-2-yl)sulfanylethanone Traditional Name: 1-[1-(2-chlorobenzyl)-2,5-dimethyl-pyrrol-3-yl]-2-[(1-oxidopyridin-1-ium-2-yl)thio]ethanone Formula: C20H19ClN2O2S MolecularWeight: 386.89506

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CC2=CC=CC=C2Cl)C)C(=O)CSC3=CC=CC=[N+]3[O-]

Isomeric SMILES

CC1=CC(=C(N1CC2=CC=CC=C2Cl)C)C(=O)CSC3=CC=CC=[N+]3[O-]

InChI

InChI=1S/C20H19ClN2O2S/c1-14-11-17(19(24)13-26-20-9-5-6-10-23(20)25)15(2)22(14)12-16-7-3-4-8-18(16)21/h3-11H,12-13H2,1-2H3