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

Systemtic Name: 1-[2,5-dimethyl-1-(phenylmethyl)pyrrol-3-yl]-2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanyl-ethanone Openeye Name: 1-(1-benzyl-2,5-dimethyl-pyrrol-3-yl)-2-(1-oxidopyridin-1-ium-2-yl)sulfanyl-ethanone CAS Name: 1-[2,5-dimethyl-1-(phenylmethyl)-3-pyrrolyl]-2-[(1-oxido-2-pyridin-1-iumyl)thio]ethanone IUPAC Name: 1-(1-benzyl-2,5-dimethylpyrrol-3-yl)-2-(1-oxidopyridin-1-ium-2-yl)sulfanylethanone Traditional Name: 1-(1-benzyl-2,5-dimethyl-pyrrol-3-yl)-2-[(1-oxidopyridin-1-ium-2-yl)thio]ethanone Formula: C20H20N2O2S MolecularWeight: 352.45

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CC2=CC=CC=C2)C)C(=O)CSC3=CC=CC=[N+]3[O-]

Isomeric SMILES

CC1=CC(=C(N1CC2=CC=CC=C2)C)C(=O)CSC3=CC=CC=[N+]3[O-]

InChI

InChI=1S/C20H20N2O2S/c1-15-12-18(16(2)21(15)13-17-8-4-3-5-9-17)19(23)14-25-20-10-6-7-11-22(20)24/h3-12H,13-14H2,1-2H3