2-(4-sulfanylidene-1,3,5-triazinan-1-yl)ethanoate

Systemtic Name: 2-(4-sulfanylidene-1,3,5-triazinan-1-yl)ethanoate Openeye Name: 2-(4-thioxo-1,3,5-triazinan-1-yl)acetate CAS Name: 2-(4-sulfanylidene-1,3,5-triazinan-1-yl)acetate IUPAC Name: 2-(4-sulfanylidene-1,3,5-triazinan-1-yl)acetate Traditional Name: 2-(4-thioxo-1,3,5-triazinan-1-yl)acetate Formula: C5H8N3O2S- MolecularWeight: 174.20092

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1NC(=S)NCN1CC(=O)[O-]

Isomeric SMILES

C1NC(=S)NCN1CC(=O)[O-]

InChI

InChI=1S/C5H9N3O2S/c9-4(10)1-8-2-6-5(11)7-3-8/h1-3H2,(H,9,10)(H2,6,7,11)/p-1