6-[1-[(4-fluorophenyl)methyl]-5-methylperoxysulfanyl-pyrrolo[2,3-b]pyridin-2-yl]-N-methyl-pyridine-3-carboxamide

Systemtic Name: 6-[1-[(4-fluorophenyl)methyl]-5-methylperoxysulfanyl-pyrrolo[2,3-b]pyridin-2-yl]-N-methyl-pyridine-3-carboxamide Openeye Name: 6-[1-[(4-fluorophenyl)methyl]-5-methylperoxysulfanyl-pyrrolo[2,3-b]pyridin-2-yl]-N-methyl-pyridine-3-carboxamide CAS Name: 1-[(4-fluorophenyl)methyl]-2-[5-(methylcarbamoyl)-2-pyridinyl]-5-pyrrolo[2,3-b]pyridinesulfenic acid methoxy ester IUPAC Name: 6-[1-[(4-fluorophenyl)methyl]-5-methylperoxysulfanylpyrrolo[2,3-b]pyridin-2-yl]-N-methylpyridine-3-carboxamide Traditional Name: 6-[1-(4-fluorobenzyl)-5-(methylperoxythio)pyrrolo[2,3-b]pyridin-2-yl]-N-methyl-nicotinamide Formula: C22H19FN4O3S MolecularWeight: 438.474663

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)C1=CN=C(C=C1)C2=CC3=CC(=CN=C3N2CC4=CC=C(C=C4)F)SOOC

Isomeric SMILES

CNC(=O)C1=CN=C(C=C1)C2=CC3=CC(=CN=C3N2CC4=CC=C(C=C4)F)SOOC

InChI

InChI=1S/C22H19FN4O3S/c1-24-22(28)15-5-8-19(25-11-15)20-10-16-9-18(31-30-29-2)12-26-21(16)27(20)13-14-3-6-17(23)7-4-14/h3-12H,13H2,1-2H3,(H,24,28)