3-(5-sulfanylidene-1,2-dihydro-1,2,4-triazol-3-yl)propanoate

Systemtic Name: 3-(5-sulfanylidene-1,2-dihydro-1,2,4-triazol-3-yl)propanoate Openeye Name: 3-(5-thioxo-1,2-dihydro-1,2,4-triazol-3-yl)propanoate CAS Name: 3-(5-sulfanylidene-1,2-dihydro-1,2,4-triazol-3-yl)propanoate IUPAC Name: 3-(5-sulfanylidene-1,2-dihydro-1,2,4-triazol-3-yl)propanoate Traditional Name: 3-(5-thioxo-1,2-dihydro-1,2,4-triazol-3-yl)propionate Formula: C5H6N3O2S- MolecularWeight: 172.18504

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C(CC(=O)[O-])C1=NC(=S)NN1

Isomeric SMILES

C(CC(=O)[O-])C1=NC(=S)NN1

InChI

InChI=1S/C5H7N3O2S/c9-4(10)2-1-3-6-5(11)8-7-3/h1-2H2,(H,9,10)(H2,6,7,8,11)/p-1