2-(2-phthalazin-1-ylsulfanylethyl)isoindole-1,3-dione

Systemtic Name: 2-(2-phthalazin-1-ylsulfanylethyl)isoindole-1,3-dione Openeye Name: 2-(2-phthalazin-1-ylsulfanylethyl)isoindoline-1,3-dione CAS Name: 2-[2-(1-phthalazinylthio)ethyl]isoindole-1,3-dione IUPAC Name: 2-(2-phthalazin-1-ylsulfanylethyl)isoindole-1,3-dione Traditional Name: 2-[2-(phthalazin-1-ylthio)ethyl]isoindoline-1,3-quinone Formula: C18H13N3O2S MolecularWeight: 335.37972

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=NN=C2SCCN3C(=O)C4=CC=CC=C4C3=O

Isomeric SMILES

C1=CC=C2C(=C1)C=NN=C2SCCN3C(=O)C4=CC=CC=C4C3=O

InChI

InChI=1S/C18H13N3O2S/c22-17-14-7-3-4-8-15(14)18(23)21(17)9-10-24-16-13-6-2-1-5-12(13)11-19-20-16/h1-8,11H,9-10H2