2-(2,6-dimethylpyrimidin-4-yl)sulfanyl-1-phenyl-ethanone

Systemtic Name: 2-(2,6-dimethylpyrimidin-4-yl)sulfanyl-1-phenyl-ethanone Openeye Name: 2-(2,6-dimethylpyrimidin-4-yl)sulfanyl-1-phenyl-ethanone CAS Name: 2-[(2,6-dimethyl-4-pyrimidinyl)thio]-1-phenylethanone IUPAC Name: 2-(2,6-dimethylpyrimidin-4-yl)sulfanyl-1-phenylethanone Traditional Name: 2-[(2,6-dimethylpyrimidin-4-yl)thio]-1-phenyl-ethanone Formula: C14H14N2OS MolecularWeight: 258.33876

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)C)SCC(=O)C2=CC=CC=C2

Isomeric SMILES

CC1=CC(=NC(=N1)C)SCC(=O)C2=CC=CC=C2

InChI

InChI=1S/C14H14N2OS/c1-10-8-14(16-11(2)15-10)18-9-13(17)12-6-4-3-5-7-12/h3-8H,9H2,1-2H3