2-(6-methylpyrimidin-4-yl)sulfanyl-1-phenyl-ethanone

Systemtic Name: 2-(6-methylpyrimidin-4-yl)sulfanyl-1-phenyl-ethanone Openeye Name: 2-(6-methylpyrimidin-4-yl)sulfanyl-1-phenyl-ethanone CAS Name: 2-[(6-methyl-4-pyrimidinyl)thio]-1-phenylethanone IUPAC Name: 2-(6-methylpyrimidin-4-yl)sulfanyl-1-phenylethanone Traditional Name: 2-[(6-methylpyrimidin-4-yl)thio]-1-phenyl-ethanone Formula: C13H12N2OS MolecularWeight: 244.31218

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H12N2OS/c1-10-7-13(15-9-14-10)17-8-12(16)11-5-3-2-4-6-11/h2-7,9H,8H2,1H3