2-[4-(4-fluorophenyl)phthalazin-1-yl]sulfanylethyl benzoate

Systemtic Name: 2-[4-(4-fluorophenyl)phthalazin-1-yl]sulfanylethyl benzoate Openeye Name: 2-[4-(4-fluorophenyl)phthalazin-1-yl]sulfanylethyl benzoate CAS Name: benzoic acid 2-[[4-(4-fluorophenyl)-1-phthalazinyl]thio]ethyl ester IUPAC Name: 2-[4-(4-fluorophenyl)phthalazin-1-yl]sulfanylethyl benzoate Traditional Name: benzoic acid 2-[[4-(4-fluorophenyl)phthalazin-1-yl]thio]ethyl ester Formula: C23H17FN2O2S MolecularWeight: 404.456683

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)OCCSC2=NN=C(C3=CC=CC=C32)C4=CC=C(C=C4)F

Isomeric SMILES

C1=CC=C(C=C1)C(=O)OCCSC2=NN=C(C3=CC=CC=C32)C4=CC=C(C=C4)F

InChI

InChI=1S/C23H17FN2O2S/c24-18-12-10-16(11-13-18)21-19-8-4-5-9-20(19)22(26-25-21)29-15-14-28-23(27)17-6-2-1-3-7-17/h1-13H,14-15H2