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

Systemtic Name: tert-butyl 2-[4-(4-fluorophenyl)phthalazin-1-yl]sulfanylethanoate Openeye Name: tert-butyl 2-[4-(4-fluorophenyl)phthalazin-1-yl]sulfanylacetate CAS Name: 2-[[4-(4-fluorophenyl)-1-phthalazinyl]thio]acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-[4-(4-fluorophenyl)phthalazin-1-yl]sulfanylacetate Traditional Name: 2-[[4-(4-fluorophenyl)phthalazin-1-yl]thio]acetic acid tert-butyl ester Formula: C20H19FN2O2S MolecularWeight: 370.440463

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CSC1=NN=C(C2=CC=CC=C21)C3=CC=C(C=C3)F

Isomeric SMILES

CC(C)(C)OC(=O)CSC1=NN=C(C2=CC=CC=C21)C3=CC=C(C=C3)F

InChI

InChI=1S/C20H19FN2O2S/c1-20(2,3)25-17(24)12-26-19-16-7-5-4-6-15(16)18(22-23-19)13-8-10-14(21)11-9-13/h4-11H,12H2,1-3H3