1-(2-methylsulfanyl-4-phenyl-pyrimidin-5-yl)ethanone

Systemtic Name: 1-(2-methylsulfanyl-4-phenyl-pyrimidin-5-yl)ethanone Openeye Name: 1-(2-methylsulfanyl-4-phenyl-pyrimidin-5-yl)ethanone CAS Name: 1-[2-(methylthio)-4-phenyl-5-pyrimidinyl]ethanone IUPAC Name: 1-(2-methylsulfanyl-4-phenylpyrimidin-5-yl)ethanone Traditional Name: 1-[2-(methylthio)-4-phenyl-pyrimidin-5-yl]ethanone Formula: C13H12N2OS MolecularWeight: 244.31218

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CN=C(N=C1C2=CC=CC=C2)SC

Isomeric SMILES

CC(=O)C1=CN=C(N=C1C2=CC=CC=C2)SC

InChI

InChI=1S/C13H12N2OS/c1-9(16)11-8-14-13(17-2)15-12(11)10-6-4-3-5-7-10/h3-8H,1-2H3