2-phthalazin-1-ylsulfanylpropanoic acid

Systemtic Name: 2-phthalazin-1-ylsulfanylpropanoic acid Openeye Name: 2-phthalazin-1-ylsulfanylpropanoic acid CAS Name: 2-(1-phthalazinylthio)propanoic acid IUPAC Name: 2-phthalazin-1-ylsulfanylpropanoic acid Traditional Name: 2-(phthalazin-1-ylthio)propionic acid Formula: C11H10N2O2S MolecularWeight: 234.2743

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)SC1=NN=CC2=CC=CC=C21

Isomeric SMILES

CC(C(=O)O)SC1=NN=CC2=CC=CC=C21

InChI

InChI=1S/C11H10N2O2S/c1-7(11(14)15)16-10-9-5-3-2-4-8(9)6-12-13-10/h2-7H,1H3,(H,14,15)