2-methyl-4-(4-methylsulfanylphenyl)-5-phenyl-1,2-oxazol-2-ium tetrafluoroborate

Systemtic Name: 2-methyl-4-(4-methylsulfanylphenyl)-5-phenyl-1,2-oxazol-2-ium tetrafluoroborate Openeye Name: 2-methyl-4-(4-methylsulfanylphenyl)-5-phenyl-isoxazol-2-ium tetrafluoroborate CAS Name: 2-methyl-4-[4-(methylthio)phenyl]-5-phenylisoxazol-2-ium tetrafluoroborate IUPAC Name: 2-methyl-4-(4-methylsulfanylphenyl)-5-phenyl-1,2-oxazol-2-ium tetrafluoroborate Traditional Name: 2-methyl-4-[4-(methylthio)phenyl]-5-phenyl-isoxazol-2-ium tetrafluoroborate Formula: C17H16BF4NOS MolecularWeight: 369.184653

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Descriptors Computed from Structure

Canonical SMILES:

[B-](F)(F)(F)F.C[N+]1=CC(=C(O1)C2=CC=CC=C2)C3=CC=C(C=C3)SC

Isomeric SMILES

[B-](F)(F)(F)F.C[N+]1=CC(=C(O1)C2=CC=CC=C2)C3=CC=C(C=C3)SC

InChI

InChI=1S/C17H16NOS.BF4/c1-18-12-16(13-8-10-15(20-2)11-9-13)17(19-18)14-6-4-3-5-7-14;2-1(3,4)5/h3-12H,1-2H3;/q+1;-1