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

Systemtic Name: 3-(3-bromanyl-2-methyl-6-propylsulfonyl-phenyl)-4,5-dihydro-1,2-oxazole Openeye Name: 3-(3-bromo-2-methyl-6-propylsulfonyl-phenyl)-4,5-dihydroisoxazole CAS Name: 3-(3-bromo-2-methyl-6-propylsulfonylphenyl)-4,5-dihydroisoxazole IUPAC Name: 3-(3-bromo-2-methyl-6-propylsulfonylphenyl)-4,5-dihydro-1,2-oxazole Traditional Name: 3-(3-bromo-2-methyl-6-propylsulfonyl-phenyl)-2-isoxazoline Formula: C13H16BrNO3S MolecularWeight: 346.24004

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Descriptors Computed from Structure

Canonical SMILES:

CCCS(=O)(=O)C1=C(C(=C(C=C1)Br)C)C2=NOCC2

Isomeric SMILES

CCCS(=O)(=O)C1=C(C(=C(C=C1)Br)C)C2=NOCC2

InChI

InChI=1S/C13H16BrNO3S/c1-3-8-19(16,17)12-5-4-10(14)9(2)13(12)11-6-7-18-15-11/h4-5H,3,6-8H2,1-2H3