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

Systemtic Name: 3-(4-methylsulfanylphenyl)-1-(1,2-oxazol-5-yl)prop-2-yn-1-one Openeye Name: 1-isoxazol-5-yl-3-(4-methylsulfanylphenyl)prop-2-yn-1-one CAS Name: 1-(5-isoxazolyl)-3-[4-(methylthio)phenyl]-2-propyn-1-one IUPAC Name: 3-(4-methylsulfanylphenyl)-1-(1,2-oxazol-5-yl)prop-2-yn-1-one Traditional Name: 1-isoxazol-5-yl-3-[4-(methylthio)phenyl]prop-2-yn-1-one Formula: C13H9NO2S MolecularWeight: 243.28106

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)C#CC(=O)C2=CC=NO2

Isomeric SMILES

CSC1=CC=C(C=C1)C#CC(=O)C2=CC=NO2

InChI

InChI=1S/C13H9NO2S/c1-17-11-5-2-10(3-6-11)4-7-12(15)13-8-9-14-16-13/h2-3,5-6,8-9H,1H3