2-[2-oxidanyl-3-(1-oxidanylidene-4-thiophen-2-yl-phthalazin-2-yl)propyl]isoindole-1,3-dione

Systemtic Name: 2-[2-oxidanyl-3-(1-oxidanylidene-4-thiophen-2-yl-phthalazin-2-yl)propyl]isoindole-1,3-dione Openeye Name: 2-[2-hydroxy-3-[1-oxo-4-(2-thienyl)phthalazin-2-yl]propyl]isoindoline-1,3-dione CAS Name: 2-[2-hydroxy-3-(1-oxo-4-thiophen-2-yl-2-phthalazinyl)propyl]isoindole-1,3-dione IUPAC Name: 2-[2-hydroxy-3-(1-oxo-4-thiophen-2-ylphthalazin-2-yl)propyl]isoindole-1,3-dione Traditional Name: 2-[2-hydroxy-3-[1-keto-4-(2-thienyl)phthalazin-2-yl]propyl]isoindoline-1,3-quinone Formula: C23H17N3O4S MolecularWeight: 431.46378

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=NN(C2=O)CC(CN3C(=O)C4=CC=CC=C4C3=O)O)C5=CC=CS5

Isomeric SMILES

C1=CC=C2C(=C1)C(=NN(C2=O)CC(CN3C(=O)C4=CC=CC=C4C3=O)O)C5=CC=CS5

InChI

InChI=1S/C23H17N3O4S/c27-14(12-25-21(28)17-8-3-4-9-18(17)22(25)29)13-26-23(30)16-7-2-1-6-15(16)20(24-26)19-10-5-11-31-19/h1-11,14,27H,12-13H2