2-([1,2,4]triazolo[3,4-a]phthalazin-6-ylsulfanyl)ethanoic acid

Systemtic Name: 2-([1,2,4]triazolo[3,4-a]phthalazin-6-ylsulfanyl)ethanoic acid Openeye Name: 2-([1,2,4]triazolo[3,4-a]phthalazin-6-ylsulfanyl)acetic acid CAS Name: 2-([1,2,4]triazolo[3,4-a]phthalazin-6-ylthio)acetic acid IUPAC Name: 2-([1,2,4]triazolo[3,4-a]phthalazin-6-ylsulfanyl)acetic acid Traditional Name: 2-([1,2,4]triazolo[3,4-a]phthalazin-6-ylthio)acetic acid Formula: C11H8N4O2S MolecularWeight: 260.27182

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C3=NN=CN3N=C2SCC(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C3=NN=CN3N=C2SCC(=O)O

InChI

InChI=1S/C11H8N4O2S/c16-9(17)5-18-11-8-4-2-1-3-7(8)10-13-12-6-15(10)14-11/h1-4,6H,5H2,(H,16,17)