1-tert-butyl-3-methylsulfanyl-1,2,4-triazin-1-ium-5-olate

Systemtic Name: 1-tert-butyl-3-methylsulfanyl-1,2,4-triazin-1-ium-5-olate Openeye Name: 1-tert-butyl-3-methylsulfanyl-1,2,4-triazin-1-ium-5-olate CAS Name: 1-tert-butyl-3-(methylthio)-1,2,4-triazin-1-ium-5-olate IUPAC Name: 1-tert-butyl-3-methylsulfanyl-1,2,4-triazin-1-ium-5-olate Traditional Name: 1-tert-butyl-3-(methylthio)-1,2,4-triazin-1-ium-5-olate Formula: C8H13N3OS MolecularWeight: 199.27332

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)[N+]1=NC(=NC(=C1)[O-])SC

Isomeric SMILES

CC(C)(C)[N+]1=NC(=NC(=C1)[O-])SC

InChI

InChI=1S/C8H13N3OS/c1-8(2,3)11-5-6(12)9-7(10-11)13-4/h5H,1-4H3