2-[(4-azaniumyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]ethanoate

Systemtic Name: 2-[(4-azaniumyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]ethanoate Openeye Name: 2-[[4-azaniumyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[(4-ammonio-5-pyridin-4-yl-1,2,4-triazol-3-yl)thio]acetate IUPAC Name: 2-[(4-azaniumyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]acetate Traditional Name: 2-[[4-ammonio-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]acetate Formula: C9H9N5O2S MolecularWeight: 251.26506

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CN=CC=C1C2=NN=C(N2[NH3+])SCC(=O)[O-]

Isomeric SMILES

C1=CN=CC=C1C2=NN=C(N2[NH3+])SCC(=O)[O-]

InChI

InChI=1S/C9H9N5O2S/c10-14-8(6-1-3-11-4-2-6)12-13-9(14)17-5-7(15)16/h1-4H,5,10H2,(H,15,16)