1-[3-(4-methylsulfanylphenyl)-1,2-oxazol-5-yl]ethanone

Systemtic Name: 1-[3-(4-methylsulfanylphenyl)-1,2-oxazol-5-yl]ethanone Openeye Name: 1-[3-(4-methylsulfanylphenyl)isoxazol-5-yl]ethanone CAS Name: 1-[3-[4-(methylthio)phenyl]-5-isoxazolyl]ethanone IUPAC Name: 1-[3-(4-methylsulfanylphenyl)-1,2-oxazol-5-yl]ethanone Traditional Name: 1-[3-[4-(methylthio)phenyl]isoxazol-5-yl]ethanone Formula: C12H11NO2S MolecularWeight: 233.28624

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=NO1)C2=CC=C(C=C2)SC

Isomeric SMILES

CC(=O)C1=CC(=NO1)C2=CC=C(C=C2)SC

InChI

InChI=1S/C12H11NO2S/c1-8(14)12-7-11(13-15-12)9-3-5-10(16-2)6-4-9/h3-7H,1-2H3