1,2-dimethyl-3,5-diphenyl-4-(phenylmethylsulfanyl)pyrazol-2-ium tetrafluoroborate

Systemtic Name: 1,2-dimethyl-3,5-diphenyl-4-(phenylmethylsulfanyl)pyrazol-2-ium tetrafluoroborate Openeye Name: 4-benzylsulfanyl-1,2-dimethyl-3,5-diphenyl-pyrazol-2-ium tetrafluoroborate CAS Name: 1,2-dimethyl-3,5-diphenyl-4-(phenylmethylthio)pyrazol-2-ium tetrafluoroborate IUPAC Name: 4-benzylsulfanyl-1,2-dimethyl-3,5-diphenylpyrazol-2-ium tetrafluoroborate Traditional Name: 4-(benzylthio)-1,2-dimethyl-3,5-diphenyl-pyrazol-2-ium tetrafluoroborate Formula: C24H23BF4N2S MolecularWeight: 458.322433

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Descriptors Computed from Structure

Canonical SMILES:

[B-](F)(F)(F)F.CN1C(=C(C(=[N+]1C)C2=CC=CC=C2)SCC3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

[B-](F)(F)(F)F.CN1C(=C(C(=[N+]1C)C2=CC=CC=C2)SCC3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C24H23N2S.BF4/c1-25-22(20-14-8-4-9-15-20)24(27-18-19-12-6-3-7-13-19)23(26(25)2)21-16-10-5-11-17-21;2-1(3,4)5/h3-17H,18H2,1-2H3;/q+1;-1