3-[(4-sulfanylidene-5,6-dihydroimidazo[4,5-d]pyridazin-7-yl)sulfanyl]propanoic acid

Systemtic Name: 3-[(4-sulfanylidene-5,6-dihydroimidazo[4,5-d]pyridazin-7-yl)sulfanyl]propanoic acid Openeye Name: 3-[(4-thioxo-5,6-dihydroimidazo[4,5-d]pyridazin-7-yl)sulfanyl]propanoic acid CAS Name: 3-[(4-sulfanylidene-5,6-dihydroimidazo[4,5-d]pyridazin-7-yl)thio]propanoic acid IUPAC Name: 3-[(4-sulfanylidene-5,6-dihydroimidazo[4,5-d]pyridazin-7-yl)sulfanyl]propanoic acid Traditional Name: 3-[(4-thioxo-5,6-dihydroimidazo[4,5-d]pyridazin-7-yl)thio]propionic acid Formula: C8H8N4O2S2 MolecularWeight: 256.30472

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=NC2=C(NNC(=S)C2=N1)SCCC(=O)O

Isomeric SMILES

C1=NC2=C(NNC(=S)C2=N1)SCCC(=O)O

InChI

InChI=1S/C8H8N4O2S2/c13-4(14)1-2-16-8-6-5(9-3-10-6)7(15)11-12-8/h3,12H,1-2H2,(H,11,15)(H,13,14)