6-[1-[(4-fluorophenyl)methyl]-5-methylperoxysulfanyl-indol-2-yl]pyridine-3-carboxylic acid

Systemtic Name: 6-[1-[(4-fluorophenyl)methyl]-5-methylperoxysulfanyl-indol-2-yl]pyridine-3-carboxylic acid Openeye Name: 6-[1-[(4-fluorophenyl)methyl]-5-methylperoxysulfanyl-indol-2-yl]pyridine-3-carboxylic acid CAS Name: 6-[1-[(4-fluorophenyl)methyl]-5-(methyldioxythio)-2-indolyl]-3-pyridinecarboxylic acid IUPAC Name: 6-[1-[(4-fluorophenyl)methyl]-5-methylperoxysulfanylindol-2-yl]pyridine-3-carboxylic acid Traditional Name: 6-[1-(4-fluorobenzyl)-5-(methylperoxythio)indol-2-yl]nicotinic acid Formula: C22H17FN2O4S MolecularWeight: 424.444783

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Descriptors Computed from Structure

Canonical SMILES:

COOSC1=CC2=C(C=C1)N(C(=C2)C3=NC=C(C=C3)C(=O)O)CC4=CC=C(C=C4)F

Isomeric SMILES

COOSC1=CC2=C(C=C1)N(C(=C2)C3=NC=C(C=C3)C(=O)O)CC4=CC=C(C=C4)F

InChI

InChI=1S/C22H17FN2O4S/c1-28-29-30-18-7-9-20-16(10-18)11-21(19-8-4-15(12-24-19)22(26)27)25(20)13-14-2-5-17(23)6-3-14/h2-12H,13H2,1H3,(H,26,27)