1-(3-fluoranyl-4-methoxy-phenyl)-2-[4-(4-fluorophenyl)phthalazin-1-yl]sulfanyl-ethanone

Systemtic Name: 1-(3-fluoranyl-4-methoxy-phenyl)-2-[4-(4-fluorophenyl)phthalazin-1-yl]sulfanyl-ethanone Openeye Name: 1-(3-fluoro-4-methoxy-phenyl)-2-[4-(4-fluorophenyl)phthalazin-1-yl]sulfanyl-ethanone CAS Name: 1-(3-fluoro-4-methoxyphenyl)-2-[[4-(4-fluorophenyl)-1-phthalazinyl]thio]ethanone IUPAC Name: 1-(3-fluoro-4-methoxyphenyl)-2-[4-(4-fluorophenyl)phthalazin-1-yl]sulfanylethanone Traditional Name: 1-(3-fluoro-4-methoxy-phenyl)-2-[[4-(4-fluorophenyl)phthalazin-1-yl]thio]ethanone Formula: C23H16F2N2O2S MolecularWeight: 422.447146

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H16F2N2O2S/c1-29-21-11-8-15(12-19(21)25)20(28)13-30-23-18-5-3-2-4-17(18)22(26-27-23)14-6-9-16(24)10-7-14/h2-12H,13H2,1H3