N-(4-bromanyl-2-fluoranyl-phenyl)-2-[4-(4-fluorophenyl)phthalazin-1-yl]sulfanyl-ethanamide

Systemtic Name: N-(4-bromanyl-2-fluoranyl-phenyl)-2-[4-(4-fluorophenyl)phthalazin-1-yl]sulfanyl-ethanamide Openeye Name: N-(4-bromo-2-fluoro-phenyl)-2-[4-(4-fluorophenyl)phthalazin-1-yl]sulfanyl-acetamide CAS Name: N-(4-bromo-2-fluorophenyl)-2-[[4-(4-fluorophenyl)-1-phthalazinyl]thio]acetamide IUPAC Name: N-(4-bromo-2-fluorophenyl)-2-[4-(4-fluorophenyl)phthalazin-1-yl]sulfanylacetamide Traditional Name: N-(4-bromo-2-fluoro-phenyl)-2-[[4-(4-fluorophenyl)phthalazin-1-yl]thio]acetamide Formula: C22H14BrF2N3OS MolecularWeight: 486.331866

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=NN=C2SCC(=O)NC3=C(C=C(C=C3)Br)F)C4=CC=C(C=C4)F

Isomeric SMILES

C1=CC=C2C(=C1)C(=NN=C2SCC(=O)NC3=C(C=C(C=C3)Br)F)C4=CC=C(C=C4)F

InChI

InChI=1S/C22H14BrF2N3OS/c23-14-7-10-19(18(25)11-14)26-20(29)12-30-22-17-4-2-1-3-16(17)21(27-28-22)13-5-8-15(24)9-6-13/h1-11H,12H2,(H,26,29)