1-ethyl-5-phenyl-3-(phenylmethylsulfanyl)-1,2,4-triazin-1-ium tetrafluoroborate

Systemtic Name: 1-ethyl-5-phenyl-3-(phenylmethylsulfanyl)-1,2,4-triazin-1-ium tetrafluoroborate Openeye Name: 3-benzylsulfanyl-1-ethyl-5-phenyl-1,2,4-triazin-1-ium tetrafluoroborate CAS Name: 1-ethyl-5-phenyl-3-(phenylmethylthio)-1,2,4-triazin-1-ium tetrafluoroborate IUPAC Name: 3-benzylsulfanyl-1-ethyl-5-phenyl-1,2,4-triazin-1-ium tetrafluoroborate Traditional Name: 3-(benzylthio)-1-ethyl-5-phenyl-1,2,4-triazin-1-ium tetrafluoroborate Formula: C18H18BF4N3S MolecularWeight: 395.225233

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Descriptors Computed from Structure

Canonical SMILES:

[B-](F)(F)(F)F.CC[N+]1=NC(=NC(=C1)C2=CC=CC=C2)SCC3=CC=CC=C3

Isomeric SMILES

[B-](F)(F)(F)F.CC[N+]1=NC(=NC(=C1)C2=CC=CC=C2)SCC3=CC=CC=C3

InChI

InChI=1S/C18H18N3S.BF4/c1-2-21-13-17(16-11-7-4-8-12-16)19-18(20-21)22-14-15-9-5-3-6-10-15;2-1(3,4)5/h3-13H,2,14H2,1H3;/q+1;-1