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

Systemtic Name: 2-(4-fluorophenyl)-5-[(4-methylpyrimidin-2-yl)sulfanylmethyl]-1H-pyrazol-3-one Openeye Name: 2-(4-fluorophenyl)-5-[(4-methylpyrimidin-2-yl)sulfanylmethyl]-1H-pyrazol-3-one CAS Name: 2-(4-fluorophenyl)-5-[[(4-methyl-2-pyrimidinyl)thio]methyl]-1H-pyrazol-3-one IUPAC Name: 2-(4-fluorophenyl)-5-[(4-methylpyrimidin-2-yl)sulfanylmethyl]-1H-pyrazol-3-one Traditional Name: 2-(4-fluorophenyl)-5-[[(4-methylpyrimidin-2-yl)thio]methyl]-3-pyrazolin-3-one Formula: C15H13FN4OS MolecularWeight: 316.353323

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H13FN4OS/c1-10-6-7-17-15(18-10)22-9-12-8-14(21)20(19-12)13-4-2-11(16)3-5-13/h2-8,19H,9H2,1H3