4-(4-fluorophenyl)-3-(2-methylsulfonylpyrimidin-4-yl)-2-prop-2-enyl-1,2-oxazol-5-one

Systemtic Name: 4-(4-fluorophenyl)-3-(2-methylsulfonylpyrimidin-4-yl)-2-prop-2-enyl-1,2-oxazol-5-one Openeye Name: 2-allyl-4-(4-fluorophenyl)-3-(2-methylsulfonylpyrimidin-4-yl)isoxazol-5-one CAS Name: 4-(4-fluorophenyl)-3-(2-methylsulfonyl-4-pyrimidinyl)-2-prop-2-enyl-5-isoxazolone IUPAC Name: 4-(4-fluorophenyl)-3-(2-methylsulfonylpyrimidin-4-yl)-2-prop-2-enyl-1,2-oxazol-5-one Traditional Name: 2-allyl-4-(4-fluorophenyl)-3-(2-mesylpyrimidin-4-yl)-3-isoxazolin-5-one Formula: C17H14FN3O4S MolecularWeight: 375.374163

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=NC=CC(=N1)C2=C(C(=O)ON2CC=C)C3=CC=C(C=C3)F

Isomeric SMILES

CS(=O)(=O)C1=NC=CC(=N1)C2=C(C(=O)ON2CC=C)C3=CC=C(C=C3)F

InChI

InChI=1S/C17H14FN3O4S/c1-3-10-21-15(13-8-9-19-17(20-13)26(2,23)24)14(16(22)25-21)11-4-6-12(18)7-5-11/h3-9H,1,10H2,2H3