2-[3-(1H-pyrazol-5-yl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]propanoic acid

Systemtic Name: 2-[3-(1H-pyrazol-5-yl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]propanoic acid Openeye Name: 2-[3-(1H-pyrazol-5-yl)-5-thioxo-1H-1,2,4-triazol-4-yl]propanoic acid CAS Name: 2-[3-(1H-pyrazol-5-yl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]propanoic acid IUPAC Name: 2-[3-(1H-pyrazol-5-yl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]propanoic acid Traditional Name: 2-[3-(1H-pyrazol-5-yl)-5-thioxo-1H-1,2,4-triazol-4-yl]propionic acid Formula: C8H9N5O2S MolecularWeight: 239.25436

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)N1C(=NNC1=S)C2=CC=NN2

Isomeric SMILES

CC(C(=O)O)N1C(=NNC1=S)C2=CC=NN2

InChI

InChI=1S/C8H9N5O2S/c1-4(7(14)15)13-6(11-12-8(13)16)5-2-3-9-10-5/h2-4H,1H3,(H,9,10)(H,12,16)(H,14,15)