1-[2-(4-chlorophenyl)sulfanyl-4-methyl-pyrimidin-5-yl]ethanone

Systemtic Name: 1-[2-(4-chlorophenyl)sulfanyl-4-methyl-pyrimidin-5-yl]ethanone Openeye Name: 1-[2-(4-chlorophenyl)sulfanyl-4-methyl-pyrimidin-5-yl]ethanone CAS Name: 1-[2-[(4-chlorophenyl)thio]-4-methyl-5-pyrimidinyl]ethanone IUPAC Name: 1-[2-(4-chlorophenyl)sulfanyl-4-methylpyrimidin-5-yl]ethanone Traditional Name: 1-[2-[(4-chlorophenyl)thio]-4-methyl-pyrimidin-5-yl]ethanone Formula: C13H11ClN2OS MolecularWeight: 278.75724

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NC=C1C(=O)C)SC2=CC=C(C=C2)Cl

Isomeric SMILES

CC1=NC(=NC=C1C(=O)C)SC2=CC=C(C=C2)Cl

InChI

InChI=1S/C13H11ClN2OS/c1-8-12(9(2)17)7-15-13(16-8)18-11-5-3-10(14)4-6-11/h3-7H,1-2H3