2-[(4-sulfanylidene-5,6-dihydroimidazo[4,5-d]pyridazin-7-yl)sulfanyl]ethanoic acid

Systemtic Name: 2-[(4-sulfanylidene-5,6-dihydroimidazo[4,5-d]pyridazin-7-yl)sulfanyl]ethanoic acid Openeye Name: 2-[(4-thioxo-5,6-dihydroimidazo[4,5-d]pyridazin-7-yl)sulfanyl]acetic acid CAS Name: 2-[(4-sulfanylidene-5,6-dihydroimidazo[4,5-d]pyridazin-7-yl)thio]acetic acid IUPAC Name: 2-[(4-sulfanylidene-5,6-dihydroimidazo[4,5-d]pyridazin-7-yl)sulfanyl]acetic acid Traditional Name: 2-[(4-thioxo-5,6-dihydroimidazo[4,5-d]pyridazin-7-yl)thio]acetic acid Formula: C7H6N4O2S2 MolecularWeight: 242.27814

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C7H6N4O2S2/c12-3(13)1-15-7-5-4(8-2-9-5)6(14)10-11-7/h2,11H,1H2,(H,10,14)(H,12,13)