2-[(4-azanyl-5-pyrazin-2-yl-1,2,4-triazol-3-yl)sulfanyl]ethanoate

Systemtic Name: 2-[(4-azanyl-5-pyrazin-2-yl-1,2,4-triazol-3-yl)sulfanyl]ethanoate Openeye Name: 2-[(4-amino-5-pyrazin-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetate CAS Name: 2-[[4-amino-5-(2-pyrazinyl)-1,2,4-triazol-3-yl]thio]acetate IUPAC Name: 2-[(4-amino-5-pyrazin-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetate Traditional Name: 2-[(4-amino-5-pyrazin-2-yl-1,2,4-triazol-3-yl)thio]acetate Formula: C8H7N6O2S- MolecularWeight: 251.24518

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CN=C(C=N1)C2=NN=C(N2N)SCC(=O)[O-]

Isomeric SMILES

C1=CN=C(C=N1)C2=NN=C(N2N)SCC(=O)[O-]

InChI

InChI=1S/C8H8N6O2S/c9-14-7(5-3-10-1-2-11-5)12-13-8(14)17-4-6(15)16/h1-3H,4,9H2,(H,15,16)/p-1