1-[1-(4-chlorophenyl)-2,5-dimethyl-pyrrol-3-yl]-2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanyl-propan-1-one

Systemtic Name: 1-[1-(4-chlorophenyl)-2,5-dimethyl-pyrrol-3-yl]-2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanyl-propan-1-one Openeye Name: 1-[1-(4-chlorophenyl)-2,5-dimethyl-pyrrol-3-yl]-2-(1-oxidopyridin-1-ium-2-yl)sulfanyl-propan-1-one CAS Name: 1-[1-(4-chlorophenyl)-2,5-dimethyl-3-pyrrolyl]-2-[(1-oxido-2-pyridin-1-iumyl)thio]-1-propanone IUPAC Name: 1-[1-(4-chlorophenyl)-2,5-dimethylpyrrol-3-yl]-2-(1-oxidopyridin-1-ium-2-yl)sulfanylpropan-1-one Traditional Name: 1-[1-(4-chlorophenyl)-2,5-dimethyl-pyrrol-3-yl]-2-[(1-oxidopyridin-1-ium-2-yl)thio]propan-1-one Formula: C20H19ClN2O2S MolecularWeight: 386.89506

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC=C(C=C2)Cl)C)C(=O)C(C)SC3=CC=CC=[N+]3[O-]

Isomeric SMILES

CC1=CC(=C(N1C2=CC=C(C=C2)Cl)C)C(=O)C(C)SC3=CC=CC=[N+]3[O-]

InChI

InChI=1S/C20H19ClN2O2S/c1-13-12-18(14(2)23(13)17-9-7-16(21)8-10-17)20(24)15(3)26-19-6-4-5-11-22(19)25/h4-12,15H,1-3H3