5-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-2-phenyl-1H-pyrazol-3-one

Systemtic Name: 5-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-2-phenyl-1H-pyrazol-3-one Openeye Name: 5-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-2-phenyl-1H-pyrazol-3-one CAS Name: 5-[[(4,6-dimethyl-2-pyrimidinyl)thio]methyl]-2-phenyl-1H-pyrazol-3-one IUPAC Name: 5-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-2-phenyl-1H-pyrazol-3-one Traditional Name: 5-[[(4,6-dimethylpyrimidin-2-yl)thio]methyl]-2-phenyl-3-pyrazolin-3-one Formula: C16H16N4OS MolecularWeight: 312.38944

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SCC2=CC(=O)N(N2)C3=CC=CC=C3)C

Isomeric SMILES

CC1=CC(=NC(=N1)SCC2=CC(=O)N(N2)C3=CC=CC=C3)C

InChI

InChI=1S/C16H16N4OS/c1-11-8-12(2)18-16(17-11)22-10-13-9-15(21)20(19-13)14-6-4-3-5-7-14/h3-9,19H,10H2,1-2H3