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

Systemtic Name: 3-(3-bromanyl-2-ethyl-6-methylsulfanyl-phenyl)-5-methyl-1,2-oxazole Openeye Name: 3-(3-bromo-2-ethyl-6-methylsulfanyl-phenyl)-5-methyl-isoxazole CAS Name: 3-[3-bromo-2-ethyl-6-(methylthio)phenyl]-5-methylisoxazole IUPAC Name: 3-(3-bromo-2-ethyl-6-methylsulfanylphenyl)-5-methyl-1,2-oxazole Traditional Name: 3-[3-bromo-2-ethyl-6-(methylthio)phenyl]-5-methyl-isoxazole Formula: C13H14BrNOS MolecularWeight: 312.22536

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=CC(=C1C2=NOC(=C2)C)SC)Br

Isomeric SMILES

CCC1=C(C=CC(=C1C2=NOC(=C2)C)SC)Br

InChI

InChI=1S/C13H14BrNOS/c1-4-9-10(14)5-6-12(17-3)13(9)11-7-8(2)16-15-11/h5-7H,4H2,1-3H3