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

Systemtic Name: N-(3-bromophenyl)-2-[4-(4-fluorophenyl)phthalazin-1-yl]sulfanyl-ethanamide Openeye Name: N-(3-bromophenyl)-2-[4-(4-fluorophenyl)phthalazin-1-yl]sulfanyl-acetamide CAS Name: N-(3-bromophenyl)-2-[[4-(4-fluorophenyl)-1-phthalazinyl]thio]acetamide IUPAC Name: N-(3-bromophenyl)-2-[4-(4-fluorophenyl)phthalazin-1-yl]sulfanylacetamide Traditional Name: N-(3-bromophenyl)-2-[[4-(4-fluorophenyl)phthalazin-1-yl]thio]acetamide Formula: C22H15BrFN3OS MolecularWeight: 468.341403

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H15BrFN3OS/c23-15-4-3-5-17(12-15)25-20(28)13-29-22-19-7-2-1-6-18(19)21(26-27-22)14-8-10-16(24)11-9-14/h1-12H,13H2,(H,25,28)