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

Systemtic Name: N-(1-adamantyl)-2-[4-(4-fluorophenyl)phthalazin-1-yl]sulfanyl-ethanamide Openeye Name: N-(1-adamantyl)-2-[4-(4-fluorophenyl)phthalazin-1-yl]sulfanyl-acetamide CAS Name: N-(1-adamantyl)-2-[[4-(4-fluorophenyl)-1-phthalazinyl]thio]acetamide IUPAC Name: N-(1-adamantyl)-2-[4-(4-fluorophenyl)phthalazin-1-yl]sulfanylacetamide Traditional Name: N-(1-adamantyl)-2-[[4-(4-fluorophenyl)phthalazin-1-yl]thio]acetamide Formula: C26H26FN3OS MolecularWeight: 447.567543

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)NC(=O)CSC4=NN=C(C5=CC=CC=C54)C6=CC=C(C=C6)F

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)NC(=O)CSC4=NN=C(C5=CC=CC=C54)C6=CC=C(C=C6)F

InChI

InChI=1S/C26H26FN3OS/c27-20-7-5-19(6-8-20)24-21-3-1-2-4-22(21)25(30-29-24)32-15-23(31)28-26-12-16-9-17(13-26)11-18(10-16)14-26/h1-8,16-18H,9-15H2,(H,28,31)