4-bromanyl-5-(4-methylsulfanylphenyl)-3-(oxan-2-yloxymethyl)-1,2-oxazole

Systemtic Name: 4-bromanyl-5-(4-methylsulfanylphenyl)-3-(oxan-2-yloxymethyl)-1,2-oxazole Openeye Name: 4-bromo-5-(4-methylsulfanylphenyl)-3-(tetrahydropyran-2-yloxymethyl)isoxazole CAS Name: 4-bromo-5-[4-(methylthio)phenyl]-3-(2-oxanyloxymethyl)isoxazole IUPAC Name: 4-bromo-5-(4-methylsulfanylphenyl)-3-(oxan-2-yloxymethyl)-1,2-oxazole Traditional Name: 4-bromo-5-[4-(methylthio)phenyl]-3-(tetrahydropyran-2-yloxymethyl)isoxazole Formula: C16H18BrNO3S MolecularWeight: 384.28802

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)C2=C(C(=NO2)COC3CCCCO3)Br

Isomeric SMILES

CSC1=CC=C(C=C1)C2=C(C(=NO2)COC3CCCCO3)Br

InChI

InChI=1S/C16H18BrNO3S/c1-22-12-7-5-11(6-8-12)16-15(17)13(18-21-16)10-20-14-4-2-3-9-19-14/h5-8,14H,2-4,9-10H2,1H3