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

Systemtic Name: 3-(3-bromanyl-2-ethyl-6-methylsulfanyl-phenyl)-4,5-dihydro-1,2-oxazole Openeye Name: 3-(3-bromo-2-ethyl-6-methylsulfanyl-phenyl)-4,5-dihydroisoxazole CAS Name: 3-[3-bromo-2-ethyl-6-(methylthio)phenyl]-4,5-dihydroisoxazole IUPAC Name: 3-(3-bromo-2-ethyl-6-methylsulfanylphenyl)-4,5-dihydro-1,2-oxazole Traditional Name: 3-[3-bromo-2-ethyl-6-(methylthio)phenyl]-2-isoxazoline Formula: C12H14BrNOS MolecularWeight: 300.21466

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=CC(=C1C2=NOCC2)SC)Br

Isomeric SMILES

CCC1=C(C=CC(=C1C2=NOCC2)SC)Br

InChI

InChI=1S/C12H14BrNOS/c1-3-8-9(13)4-5-11(16-2)12(8)10-6-7-15-14-10/h4-5H,3,6-7H2,1-2H3