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

Systemtic Name: 5-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-2-(4-fluorophenyl)-1H-pyrazol-3-one Openeye Name: 5-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-2-(4-fluorophenyl)-1H-pyrazol-3-one CAS Name: 5-[[(4,6-dimethyl-2-pyrimidinyl)thio]methyl]-2-(4-fluorophenyl)-1H-pyrazol-3-one IUPAC Name: 5-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-2-(4-fluorophenyl)-1H-pyrazol-3-one Traditional Name: 5-[[(4,6-dimethylpyrimidin-2-yl)thio]methyl]-2-(4-fluorophenyl)-3-pyrazolin-3-one Formula: C16H15FN4OS MolecularWeight: 330.379903

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H15FN4OS/c1-10-7-11(2)19-16(18-10)23-9-13-8-15(22)21(20-13)14-5-3-12(17)4-6-14/h3-8,20H,9H2,1-2H3