2-[3-(4-phenylphthalazin-1-yl)sulfanylpropyl]isoindole-1,3-dione

Systemtic Name: 2-[3-(4-phenylphthalazin-1-yl)sulfanylpropyl]isoindole-1,3-dione Openeye Name: 2-[3-(4-phenylphthalazin-1-yl)sulfanylpropyl]isoindoline-1,3-dione CAS Name: 2-[3-[(4-phenyl-1-phthalazinyl)thio]propyl]isoindole-1,3-dione IUPAC Name: 2-[3-(4-phenylphthalazin-1-yl)sulfanylpropyl]isoindole-1,3-dione Traditional Name: 2-[3-[(4-phenylphthalazin-1-yl)thio]propyl]isoindoline-1,3-quinone Formula: C25H19N3O2S MolecularWeight: 425.50226

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NN=C(C3=CC=CC=C32)SCCCN4C(=O)C5=CC=CC=C5C4=O

Isomeric SMILES

C1=CC=C(C=C1)C2=NN=C(C3=CC=CC=C32)SCCCN4C(=O)C5=CC=CC=C5C4=O

InChI

InChI=1S/C25H19N3O2S/c29-24-20-13-6-7-14-21(20)25(30)28(24)15-8-16-31-23-19-12-5-4-11-18(19)22(26-27-23)17-9-2-1-3-10-17/h1-7,9-14H,8,15-16H2