2-(2-methylphenyl)-5-[(4-methylpyrimidin-2-yl)sulfanylmethyl]-1H-pyrazol-3-one

Systemtic Name: 2-(2-methylphenyl)-5-[(4-methylpyrimidin-2-yl)sulfanylmethyl]-1H-pyrazol-3-one Openeye Name: 5-[(4-methylpyrimidin-2-yl)sulfanylmethyl]-2-(o-tolyl)-1H-pyrazol-3-one CAS Name: 2-(2-methylphenyl)-5-[[(4-methyl-2-pyrimidinyl)thio]methyl]-1H-pyrazol-3-one IUPAC Name: 2-(2-methylphenyl)-5-[(4-methylpyrimidin-2-yl)sulfanylmethyl]-1H-pyrazol-3-one Traditional Name: 5-[[(4-methylpyrimidin-2-yl)thio]methyl]-2-(o-tolyl)-3-pyrazolin-3-one Formula: C16H16N4OS MolecularWeight: 312.38944

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NC=C1)SCC2=CC(=O)N(N2)C3=CC=CC=C3C

Isomeric SMILES

CC1=NC(=NC=C1)SCC2=CC(=O)N(N2)C3=CC=CC=C3C

InChI

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