1-[1-(4-ethoxyphenyl)-2,5-dimethyl-pyrrol-3-yl]-2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanyl-ethanone

Systemtic Name: 1-[1-(4-ethoxyphenyl)-2,5-dimethyl-pyrrol-3-yl]-2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanyl-ethanone Openeye Name: 1-[1-(4-ethoxyphenyl)-2,5-dimethyl-pyrrol-3-yl]-2-(1-oxidopyridin-1-ium-2-yl)sulfanyl-ethanone CAS Name: 1-[1-(4-ethoxyphenyl)-2,5-dimethyl-3-pyrrolyl]-2-[(1-oxido-2-pyridin-1-iumyl)thio]ethanone IUPAC Name: 1-[1-(4-ethoxyphenyl)-2,5-dimethylpyrrol-3-yl]-2-(1-oxidopyridin-1-ium-2-yl)sulfanylethanone Traditional Name: 1-(2,5-dimethyl-1-p-phenetyl-pyrrol-3-yl)-2-[(1-oxidopyridin-1-ium-2-yl)thio]ethanone Formula: C21H22N2O3S MolecularWeight: 382.47598

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N2C(=CC(=C2C)C(=O)CSC3=CC=CC=[N+]3[O-])C

Isomeric SMILES

CCOC1=CC=C(C=C1)N2C(=CC(=C2C)C(=O)CSC3=CC=CC=[N+]3[O-])C

InChI

InChI=1S/C21H22N2O3S/c1-4-26-18-10-8-17(9-11-18)23-15(2)13-19(16(23)3)20(24)14-27-21-7-5-6-12-22(21)25/h5-13H,4,14H2,1-3H3