N-(3,4-dimethoxyphenyl)-2-[4-(4-fluorophenyl)phthalazin-1-yl]sulfanyl-ethanamide

Systemtic Name: N-(3,4-dimethoxyphenyl)-2-[4-(4-fluorophenyl)phthalazin-1-yl]sulfanyl-ethanamide Openeye Name: N-(3,4-dimethoxyphenyl)-2-[4-(4-fluorophenyl)phthalazin-1-yl]sulfanyl-acetamide CAS Name: N-(3,4-dimethoxyphenyl)-2-[[4-(4-fluorophenyl)-1-phthalazinyl]thio]acetamide IUPAC Name: N-(3,4-dimethoxyphenyl)-2-[4-(4-fluorophenyl)phthalazin-1-yl]sulfanylacetamide Traditional Name: N-(3,4-dimethoxyphenyl)-2-[[4-(4-fluorophenyl)phthalazin-1-yl]thio]acetamide Formula: C24H20FN3O3S MolecularWeight: 449.497303

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H20FN3O3S/c1-30-20-12-11-17(13-21(20)31-2)26-22(29)14-32-24-19-6-4-3-5-18(19)23(27-28-24)15-7-9-16(25)10-8-15/h3-13H,14H2,1-2H3,(H,26,29)