N-(1-adamantyl)-2-(4-phenylphthalazin-1-yl)sulfanyl-ethanamide

Systemtic Name: N-(1-adamantyl)-2-(4-phenylphthalazin-1-yl)sulfanyl-ethanamide Openeye Name: N-(1-adamantyl)-2-(4-phenylphthalazin-1-yl)sulfanyl-acetamide CAS Name: N-(1-adamantyl)-2-[(4-phenyl-1-phthalazinyl)thio]acetamide IUPAC Name: N-(1-adamantyl)-2-(4-phenylphthalazin-1-yl)sulfanylacetamide Traditional Name: N-(1-adamantyl)-2-[(4-phenylphthalazin-1-yl)thio]acetamide Formula: C26H27N3OS MolecularWeight: 429.57708

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H27N3OS/c30-23(27-26-13-17-10-18(14-26)12-19(11-17)15-26)16-31-25-22-9-5-4-8-21(22)24(28-29-25)20-6-2-1-3-7-20/h1-9,17-19H,10-16H2,(H,27,30)