1-[2-(5-bromanylpyridin-3-yl)-4-methylsulfanyl-phenyl]ethanone

Systemtic Name: 1-[2-(5-bromanylpyridin-3-yl)-4-methylsulfanyl-phenyl]ethanone Openeye Name: 1-[2-(5-bromo-3-pyridyl)-4-methylsulfanyl-phenyl]ethanone CAS Name: 1-[2-(5-bromo-3-pyridinyl)-4-(methylthio)phenyl]ethanone IUPAC Name: 1-[2-(5-bromopyridin-3-yl)-4-methylsulfanylphenyl]ethanone Traditional Name: 1-[2-(5-bromo-3-pyridyl)-4-(methylthio)phenyl]ethanone Formula: C14H12BrNOS MolecularWeight: 322.22018

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=C(C=C(C=C1)SC)C2=CC(=CN=C2)Br

Isomeric SMILES

CC(=O)C1=C(C=C(C=C1)SC)C2=CC(=CN=C2)Br

InChI

InChI=1S/C14H12BrNOS/c1-9(17)13-4-3-12(18-2)6-14(13)10-5-11(15)8-16-7-10/h3-8H,1-2H3