3-ethyl-5-phenyl-1,3,4-thiadiazol-3-ium tetrafluoroborate

Systemtic Name: 3-ethyl-5-phenyl-1,3,4-thiadiazol-3-ium tetrafluoroborate Openeye Name: 3-ethyl-5-phenyl-1,3,4-thiadiazol-3-ium tetrafluoroborate CAS Name: 3-ethyl-5-phenyl-1,3,4-thiadiazol-3-ium tetrafluoroborate IUPAC Name: 3-ethyl-5-phenyl-1,3,4-thiadiazol-3-ium tetrafluoroborate Traditional Name: 3-ethyl-5-phenyl-1,3,4-thiadiazol-3-ium tetrafluoroborate Formula: C10H11BF4N2S MolecularWeight: 278.077353

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Descriptors Computed from Structure

Canonical SMILES:

[B-](F)(F)(F)F.CC[N+]1=CSC(=N1)C2=CC=CC=C2

Isomeric SMILES

[B-](F)(F)(F)F.CC[N+]1=CSC(=N1)C2=CC=CC=C2

InChI

InChI=1S/C10H11N2S.BF4/c1-2-12-8-13-10(11-12)9-6-4-3-5-7-9;2-1(3,4)5/h3-8H,2H2,1H3;/q+1;-1