2-[4-(4-fluorophenyl)phthalazin-1-yl]sulfanylethanoate

Systemtic Name: 2-[4-(4-fluorophenyl)phthalazin-1-yl]sulfanylethanoate Openeye Name: 2-[4-(4-fluorophenyl)phthalazin-1-yl]sulfanylacetate CAS Name: 2-[[4-(4-fluorophenyl)-1-phthalazinyl]thio]acetate IUPAC Name: 2-[4-(4-fluorophenyl)phthalazin-1-yl]sulfanylacetate Traditional Name: 2-[[4-(4-fluorophenyl)phthalazin-1-yl]thio]acetate Formula: C16H10FN2O2S- MolecularWeight: 313.326203

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=NN=C2SCC(=O)[O-])C3=CC=C(C=C3)F

Isomeric SMILES

C1=CC=C2C(=C1)C(=NN=C2SCC(=O)[O-])C3=CC=C(C=C3)F

InChI

InChI=1S/C16H11FN2O2S/c17-11-7-5-10(6-8-11)15-12-3-1-2-4-13(12)16(19-18-15)22-9-14(20)21/h1-8H,9H2,(H,20,21)/p-1