3-(5-bromanylpyridin-2-yl)sulfanylpropanoic acid

Systemtic Name: 3-(5-bromanylpyridin-2-yl)sulfanylpropanoic acid Openeye Name: 3-[(5-bromo-2-pyridyl)sulfanyl]propanoic acid CAS Name: 3-[(5-bromo-2-pyridinyl)thio]propanoic acid IUPAC Name: 3-(5-bromopyridin-2-yl)sulfanylpropanoic acid Traditional Name: 3-[(5-bromo-2-pyridyl)thio]propionic acid Formula: C8H8BrNO2S MolecularWeight: 262.12362

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=NC=C1Br)SCCC(=O)O

Isomeric SMILES

C1=CC(=NC=C1Br)SCCC(=O)O

InChI

InChI=1S/C8H8BrNO2S/c9-6-1-2-7(10-5-6)13-4-3-8(11)12/h1-2,5H,3-4H2,(H,11,12)