3-(4-methylsulfonylphenyl)-1-(1,2-oxazol-5-yl)prop-2-yn-1-one

Systemtic Name: 3-(4-methylsulfonylphenyl)-1-(1,2-oxazol-5-yl)prop-2-yn-1-one Openeye Name: 1-isoxazol-5-yl-3-(4-methylsulfonylphenyl)prop-2-yn-1-one CAS Name: 1-(5-isoxazolyl)-3-(4-methylsulfonylphenyl)-2-propyn-1-one IUPAC Name: 3-(4-methylsulfonylphenyl)-1-(1,2-oxazol-5-yl)prop-2-yn-1-one Traditional Name: 1-isoxazol-5-yl-3-(4-mesylphenyl)prop-2-yn-1-one Formula: C13H9NO4S MolecularWeight: 275.27986

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)C#CC(=O)C2=CC=NO2

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)C#CC(=O)C2=CC=NO2

InChI

InChI=1S/C13H9NO4S/c1-19(16,17)11-5-2-10(3-6-11)4-7-12(15)13-8-9-14-18-13/h2-3,5-6,8-9H,1H3