tert-butyl 2-(4-azanyl-5-methylsulfanyl-1,2,4-triazol-4-ium-1-yl)ethanoate

Systemtic Name: tert-butyl 2-(4-azanyl-5-methylsulfanyl-1,2,4-triazol-4-ium-1-yl)ethanoate Openeye Name: tert-butyl 2-(4-amino-5-methylsulfanyl-1,2,4-triazol-4-ium-1-yl)acetate CAS Name: 2-[4-amino-5-(methylthio)-1,2,4-triazol-4-ium-1-yl]acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-(4-amino-5-methylsulfanyl-1,2,4-triazol-4-ium-1-yl)acetate Traditional Name: 2-[4-amino-5-(methylthio)-1,2,4-triazol-4-ium-1-yl]acetic acid tert-butyl ester Formula: C9H17N4O2S+ MolecularWeight: 245.32188

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CN1C(=[N+](C=N1)N)SC

Isomeric SMILES

CC(C)(C)OC(=O)CN1C(=[N+](C=N1)N)SC

InChI

InChI=1S/C9H17N4O2S/c1-9(2,3)15-7(14)5-13-8(16-4)12(10)6-11-13/h6H,5,10H2,1-4H3/q+1