1-(2,4-dimethoxyphenyl)-2-[4-(4-fluorophenyl)phthalazin-1-yl]sulfanyl-ethanone

Systemtic Name: 1-(2,4-dimethoxyphenyl)-2-[4-(4-fluorophenyl)phthalazin-1-yl]sulfanyl-ethanone Openeye Name: 1-(2,4-dimethoxyphenyl)-2-[4-(4-fluorophenyl)phthalazin-1-yl]sulfanyl-ethanone CAS Name: 1-(2,4-dimethoxyphenyl)-2-[[4-(4-fluorophenyl)-1-phthalazinyl]thio]ethanone IUPAC Name: 1-(2,4-dimethoxyphenyl)-2-[4-(4-fluorophenyl)phthalazin-1-yl]sulfanylethanone Traditional Name: 1-(2,4-dimethoxyphenyl)-2-[[4-(4-fluorophenyl)phthalazin-1-yl]thio]ethanone Formula: C24H19FN2O3S MolecularWeight: 434.482663

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)C(=O)CSC2=NN=C(C3=CC=CC=C32)C4=CC=C(C=C4)F)OC

Isomeric SMILES

COC1=CC(=C(C=C1)C(=O)CSC2=NN=C(C3=CC=CC=C32)C4=CC=C(C=C4)F)OC

InChI

InChI=1S/C24H19FN2O3S/c1-29-17-11-12-20(22(13-17)30-2)21(28)14-31-24-19-6-4-3-5-18(19)23(26-27-24)15-7-9-16(25)10-8-15/h3-13H,14H2,1-2H3