N-(6-ethanoyl-1,3-benzodioxol-5-yl)-2-(4-phenylphthalazin-1-yl)sulfanyl-ethanamide

Systemtic Name: N-(6-ethanoyl-1,3-benzodioxol-5-yl)-2-(4-phenylphthalazin-1-yl)sulfanyl-ethanamide Openeye Name: N-(6-acetyl-1,3-benzodioxol-5-yl)-2-(4-phenylphthalazin-1-yl)sulfanyl-acetamide CAS Name: N-(6-acetyl-1,3-benzodioxol-5-yl)-2-[(4-phenyl-1-phthalazinyl)thio]acetamide IUPAC Name: N-(6-acetyl-1,3-benzodioxol-5-yl)-2-(4-phenylphthalazin-1-yl)sulfanylacetamide Traditional Name: N-(6-acetyl-1,3-benzodioxol-5-yl)-2-[(4-phenylphthalazin-1-yl)thio]acetamide Formula: C25H19N3O4S MolecularWeight: 457.50106

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC2=C(C=C1NC(=O)CSC3=NN=C(C4=CC=CC=C43)C5=CC=CC=C5)OCO2

Isomeric SMILES

CC(=O)C1=CC2=C(C=C1NC(=O)CSC3=NN=C(C4=CC=CC=C43)C5=CC=CC=C5)OCO2

InChI

InChI=1S/C25H19N3O4S/c1-15(29)19-11-21-22(32-14-31-21)12-20(19)26-23(30)13-33-25-18-10-6-5-9-17(18)24(27-28-25)16-7-3-2-4-8-16/h2-12H,13-14H2,1H3,(H,26,30)