3-(3-bromanyl-2-methoxy-6-methylsulfanyl-phenyl)-5-methyl-1,2-oxazole

Systemtic Name: 3-(3-bromanyl-2-methoxy-6-methylsulfanyl-phenyl)-5-methyl-1,2-oxazole Openeye Name: 3-(3-bromo-2-methoxy-6-methylsulfanyl-phenyl)-5-methyl-isoxazole CAS Name: 3-[3-bromo-2-methoxy-6-(methylthio)phenyl]-5-methylisoxazole IUPAC Name: 3-(3-bromo-2-methoxy-6-methylsulfanylphenyl)-5-methyl-1,2-oxazole Traditional Name: 3-[3-bromo-2-methoxy-6-(methylthio)phenyl]-5-methyl-isoxazole Formula: C12H12BrNO2S MolecularWeight: 314.19818

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NO1)C2=C(C=CC(=C2OC)Br)SC

Isomeric SMILES

CC1=CC(=NO1)C2=C(C=CC(=C2OC)Br)SC

InChI

InChI=1S/C12H12BrNO2S/c1-7-6-9(14-16-7)11-10(17-3)5-4-8(13)12(11)15-2/h4-6H,1-3H3