2-[2-(4,6-diphenylpyrimidin-2-yl)sulfanylethyl]isoindole-1,3-dione

Systemtic Name: 2-[2-(4,6-diphenylpyrimidin-2-yl)sulfanylethyl]isoindole-1,3-dione Openeye Name: 2-[2-(4,6-diphenylpyrimidin-2-yl)sulfanylethyl]isoindoline-1,3-dione CAS Name: 2-[2-[(4,6-diphenyl-2-pyrimidinyl)thio]ethyl]isoindole-1,3-dione IUPAC Name: 2-[2-(4,6-diphenylpyrimidin-2-yl)sulfanylethyl]isoindole-1,3-dione Traditional Name: 2-[2-[(4,6-diphenylpyrimidin-2-yl)thio]ethyl]isoindoline-1,3-quinone Formula: C26H19N3O2S MolecularWeight: 437.51296

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC(=NC(=N2)SCCN3C(=O)C4=CC=CC=C4C3=O)C5=CC=CC=C5

Isomeric SMILES

C1=CC=C(C=C1)C2=CC(=NC(=N2)SCCN3C(=O)C4=CC=CC=C4C3=O)C5=CC=CC=C5

InChI

InChI=1S/C26H19N3O2S/c30-24-20-13-7-8-14-21(20)25(31)29(24)15-16-32-26-27-22(18-9-3-1-4-10-18)17-23(28-26)19-11-5-2-6-12-19/h1-14,17H,15-16H2