1-[(4-fluorophenyl)methyl]-5-methylperoxysulfanyl-2-(1-oxidanidylpyridin-1-ium-2-yl)pyrrolo[2,3-b]pyridine

Systemtic Name: 1-[(4-fluorophenyl)methyl]-5-methylperoxysulfanyl-2-(1-oxidanidylpyridin-1-ium-2-yl)pyrrolo[2,3-b]pyridine Openeye Name: 1-[(4-fluorophenyl)methyl]-5-methylperoxysulfanyl-2-(1-oxidopyridin-1-ium-2-yl)pyrrolo[2,3-b]pyridine CAS Name: 1-[(4-fluorophenyl)methyl]-2-(1-oxido-2-pyridin-1-iumyl)-5-pyrrolo[2,3-b]pyridinesulfenic acid methoxy ester IUPAC Name: 1-[(4-fluorophenyl)methyl]-5-methylperoxysulfanyl-2-(1-oxidopyridin-1-ium-2-yl)pyrrolo[2,3-b]pyridine Traditional Name: 1-(4-fluorobenzyl)-5-(methylperoxythio)-2-(1-oxidopyridin-1-ium-2-yl)pyrrolo[2,3-b]pyridine Formula: C20H16FN3O3S MolecularWeight: 397.422743

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Descriptors Computed from Structure

Canonical SMILES:

COOSC1=CN=C2C(=C1)C=C(N2CC3=CC=C(C=C3)F)C4=CC=CC=[N+]4[O-]

Isomeric SMILES

COOSC1=CN=C2C(=C1)C=C(N2CC3=CC=C(C=C3)F)C4=CC=CC=[N+]4[O-]

InChI

InChI=1S/C20H16FN3O3S/c1-26-27-28-17-10-15-11-19(18-4-2-3-9-24(18)25)23(20(15)22-12-17)13-14-5-7-16(21)8-6-14/h2-12H,13H2,1H3