3-ethyl-5-methylsulfanyl-phenol; 2H-1,2,3,4-tetrazol-1-ium; tetrafluoroborate

Systemtic Name: 3-ethyl-5-methylsulfanyl-phenol; 2H-1,2,3,4-tetrazol-1-ium; tetrafluoroborate Openeye Name: 3-ethyl-5-methylsulfanyl-phenol; 2H-tetrazol-1-ium; tetrafluoroborate CAS Name: 3-ethyl-5-(methylthio)phenol; 2H-tetrazol-1-ium; tetrafluoroborate IUPAC Name: 3-ethyl-5-methylsulfanylphenol; 2H-tetrazol-1-ium; tetrafluoroborate Traditional Name: 3-ethyl-5-(methylthio)phenol; 2H-tetrazol-1-ium; tetrafluoroborate Formula: C10H15BF4N4OS MolecularWeight: 326.121913

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

[B-](F)(F)(F)F.CCC1=CC(=CC(=C1)SC)O.C1=[NH+]NN=N1

Isomeric SMILES

[B-](F)(F)(F)F.CCC1=CC(=CC(=C1)SC)O.C1=[NH+]NN=N1

InChI

InChI=1S/C9H12OS.CH2N4.BF4/c1-3-7-4-8(10)6-9(5-7)11-2;1-2-4-5-3-1;2-1(3,4)5/h4-6,10H,3H2,1-2H3;1H,(H,2,3,4,5);/q;;-1/p+1