3-methyl-2-(2-phenylethynyl)-1,3-benzothiazol-3-ium tetrafluoroborate

Systemtic Name: 3-methyl-2-(2-phenylethynyl)-1,3-benzothiazol-3-ium tetrafluoroborate Openeye Name: 3-methyl-2-(2-phenylethynyl)-1,3-benzothiazol-3-ium tetrafluoroborate CAS Name: 3-methyl-2-(2-phenylethynyl)-1,3-benzothiazol-3-ium tetrafluoroborate IUPAC Name: 3-methyl-2-(2-phenylethynyl)-1,3-benzothiazol-3-ium tetrafluoroborate Traditional Name: 3-methyl-2-(2-phenylethynyl)-1,3-benzothiazol-3-ium tetrafluoroborate Formula: C16H12BF4NS MolecularWeight: 337.142793

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Descriptors Computed from Structure

Canonical SMILES:

[B-](F)(F)(F)F.C[N+]1=C(SC2=CC=CC=C21)C#CC3=CC=CC=C3

Isomeric SMILES

[B-](F)(F)(F)F.C[N+]1=C(SC2=CC=CC=C21)C#CC3=CC=CC=C3

InChI

InChI=1S/C16H12NS.BF4/c1-17-14-9-5-6-10-15(14)18-16(17)12-11-13-7-3-2-4-8-13;2-1(3,4)5/h2-10H,1H3;/q+1;-1