4-(4-fluorophenyl)-1,2-dimethyl-5-(2-methylsulfonylpyrimidin-4-yl)pyrazol-3-one

Systemtic Name: 4-(4-fluorophenyl)-1,2-dimethyl-5-(2-methylsulfonylpyrimidin-4-yl)pyrazol-3-one Openeye Name: 4-(4-fluorophenyl)-1,2-dimethyl-5-(2-methylsulfonylpyrimidin-4-yl)pyrazol-3-one CAS Name: 4-(4-fluorophenyl)-1,2-dimethyl-5-(2-methylsulfonyl-4-pyrimidinyl)-3-pyrazolone IUPAC Name: 4-(4-fluorophenyl)-1,2-dimethyl-5-(2-methylsulfonylpyrimidin-4-yl)pyrazol-3-one Traditional Name: 4-(4-fluorophenyl)-5-(2-mesylpyrimidin-4-yl)-1,2-dimethyl-3-pyrazolin-3-one Formula: C16H15FN4O3S MolecularWeight: 362.378703

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C(C(=O)N1C)C2=CC=C(C=C2)F)C3=NC(=NC=C3)S(=O)(=O)C

Isomeric SMILES

CN1C(=C(C(=O)N1C)C2=CC=C(C=C2)F)C3=NC(=NC=C3)S(=O)(=O)C

InChI

InChI=1S/C16H15FN4O3S/c1-20-14(12-8-9-18-16(19-12)25(3,23)24)13(15(22)21(20)2)10-4-6-11(17)7-5-10/h4-9H,1-3H3