1-(3-iodanylphenyl)-2-(2-methylsulfanylpyrimidin-4-yl)ethanone

Systemtic Name: 1-(3-iodanylphenyl)-2-(2-methylsulfanylpyrimidin-4-yl)ethanone Openeye Name: 1-(3-iodophenyl)-2-(2-methylsulfanylpyrimidin-4-yl)ethanone CAS Name: 1-(3-iodophenyl)-2-[2-(methylthio)-4-pyrimidinyl]ethanone IUPAC Name: 1-(3-iodophenyl)-2-(2-methylsulfanylpyrimidin-4-yl)ethanone Traditional Name: 1-(3-iodophenyl)-2-[2-(methylthio)pyrimidin-4-yl]ethanone Formula: C13H11IN2OS MolecularWeight: 370.20871

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC=CC(=N1)CC(=O)C2=CC(=CC=C2)I

Isomeric SMILES

CSC1=NC=CC(=N1)CC(=O)C2=CC(=CC=C2)I

InChI

InChI=1S/C13H11IN2OS/c1-18-13-15-6-5-11(16-13)8-12(17)9-3-2-4-10(14)7-9/h2-7H,8H2,1H3