5-(3-bromanyl-2-ethyl-6-methylsulfanyl-phenyl)-3-methyl-4,5-dihydro-1,2-oxazole

Systemtic Name: 5-(3-bromanyl-2-ethyl-6-methylsulfanyl-phenyl)-3-methyl-4,5-dihydro-1,2-oxazole Openeye Name: 5-(3-bromo-2-ethyl-6-methylsulfanyl-phenyl)-3-methyl-4,5-dihydroisoxazole CAS Name: 5-[3-bromo-2-ethyl-6-(methylthio)phenyl]-3-methyl-4,5-dihydroisoxazole IUPAC Name: 5-(3-bromo-2-ethyl-6-methylsulfanylphenyl)-3-methyl-4,5-dihydro-1,2-oxazole Traditional Name: 5-[3-bromo-2-ethyl-6-(methylthio)phenyl]-3-methyl-2-isoxazoline Formula: C13H16BrNOS MolecularWeight: 314.24124

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=CC(=C1C2CC(=NO2)C)SC)Br

Isomeric SMILES

CCC1=C(C=CC(=C1C2CC(=NO2)C)SC)Br

InChI

InChI=1S/C13H16BrNOS/c1-4-9-10(14)5-6-12(17-3)13(9)11-7-8(2)15-16-11/h5-6,11H,4,7H2,1-3H3