(E)-3-methylsulfanyl-1-pyridin-2-yl-hex-2-ene-1,5-dione

Systemtic Name: (E)-3-methylsulfanyl-1-pyridin-2-yl-hex-2-ene-1,5-dione Openeye Name: (E)-3-methylsulfanyl-1-(2-pyridyl)hex-2-ene-1,5-dione CAS Name: (E)-3-(methylthio)-1-(2-pyridinyl)-2-hexene-1,5-dione IUPAC Name: (E)-3-methylsulfanyl-1-pyridin-2-ylhex-2-ene-1,5-dione Traditional Name: (E)-3-(methylthio)-1-(2-pyridyl)hex-2-ene-1,5-dione Formula: C12H13NO2S MolecularWeight: 235.30212

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CC(=CC(=O)C1=CC=CC=N1)SC

Isomeric SMILES

CC(=O)C/C(=C\C(=O)C1=CC=CC=N1)/SC

InChI

InChI=1S/C12H13NO2S/c1-9(14)7-10(16-2)8-12(15)11-5-3-4-6-13-11/h3-6,8H,7H2,1-2H3/b10-8+