2-sulfanylidene-1,3-diazinane-4,6-dione; 5-sulfanylidenepyrazol-3-one

Systemtic Name: 2-sulfanylidene-1,3-diazinane-4,6-dione; 5-sulfanylidenepyrazol-3-one Openeye Name: 2-thioxohexahydropyrimidine-4,6-dione; 5-thioxopyrazol-3-one CAS Name: 2-sulfanylidene-1,3-diazinane-4,6-dione; 5-sulfanylidene-3-pyrazolone IUPAC Name: 2-sulfanylidene-1,3-diazinane-4,6-dione; 5-sulfanylidenepyrazol-3-one Traditional Name: 2-thioxohexahydropyrimidine-4,6-quinone; 5-thioxo-1-pyrazolin-3-one Formula: C7H6N4O3S2 MolecularWeight: 258.27754

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C(=O)NC(=S)NC1=O.C1C(=O)N=NC1=S

Isomeric SMILES

C1C(=O)NC(=S)NC1=O.C1C(=O)N=NC1=S

InChI

InChI=1S/C4H4N2O2S.C3H2N2OS/c7-2-1-3(8)6-4(9)5-2;6-2-1-3(7)5-4-2/h1H2,(H2,5,6,7,8,9);1H2