2-[2-(5-bromanyl-2-fluoranyl-phenyl)sulfanylethyl]pyridine; ethanedioic acid

Systemtic Name: 2-[2-(5-bromanyl-2-fluoranyl-phenyl)sulfanylethyl]pyridine; ethanedioic acid Openeye Name: 2-[2-(5-bromo-2-fluoro-phenyl)sulfanylethyl]pyridine; oxalic acid CAS Name: 2-[2-[(5-bromo-2-fluorophenyl)thio]ethyl]pyridine; oxalic acid IUPAC Name: 2-[2-(5-bromo-2-fluorophenyl)sulfanylethyl]pyridine; oxalic acid Traditional Name: 2-[2-[(5-bromo-2-fluoro-phenyl)thio]ethyl]pyridine; oxalic acid Formula: C15H13BrFNO4S MolecularWeight: 402.235423

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=NC(=C1)CCSC2=C(C=CC(=C2)Br)F.C(=O)(C(=O)O)O

Isomeric SMILES

C1=CC=NC(=C1)CCSC2=C(C=CC(=C2)Br)F.C(=O)(C(=O)O)O

InChI

InChI=1S/C13H11BrFNS.C2H2O4/c14-10-4-5-12(15)13(9-10)17-8-6-11-3-1-2-7-16-11;3-1(4)2(5)6/h1-5,7,9H,6,8H2;(H,3,4)(H,5,6)