3-methyl-5-methylsulfanyl-1-phenyl-2H-1,2,3,4-tetrazol-2-ium tetrafluoroborate

Systemtic Name: 3-methyl-5-methylsulfanyl-1-phenyl-2H-1,2,3,4-tetrazol-2-ium tetrafluoroborate Openeye Name: 3-methyl-5-methylsulfanyl-1-phenyl-2H-tetrazol-2-ium tetrafluoroborate CAS Name: 3-methyl-5-(methylthio)-1-phenyl-2H-tetrazol-2-ium tetrafluoroborate IUPAC Name: 3-methyl-5-methylsulfanyl-1-phenyl-2H-tetrazol-2-ium tetrafluoroborate Traditional Name: 3-methyl-5-(methylthio)-1-phenyl-2H-tetrazol-2-ium tetrafluoroborate Formula: C9H13BF4N4S MolecularWeight: 296.095933

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

[B-](F)(F)(F)F.CN1[NH2+]N(C(=N1)SC)C2=CC=CC=C2

Isomeric SMILES

[B-](F)(F)(F)F.CN1[NH2+]N(C(=N1)SC)C2=CC=CC=C2

InChI

InChI=1S/C9H12N4S.BF4/c1-12-10-9(14-2)13(11-12)8-6-4-3-5-7-8;2-1(3,4)5/h3-7,11H,1-2H3;/q;-1/p+1