methyl 4-[[4-(4-fluorophenyl)phthalazin-1-yl]sulfanylmethyl]benzoate

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

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)CSC2=NN=C(C3=CC=CC=C32)C4=CC=C(C=C4)F

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)CSC2=NN=C(C3=CC=CC=C32)C4=CC=C(C=C4)F

InChI

InChI=1S/C23H17FN2O2S/c1-28-23(27)17-8-6-15(7-9-17)14-29-22-20-5-3-2-4-19(20)21(25-26-22)16-10-12-18(24)13-11-16/h2-13H,14H2,1H3