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

Systemtic Name: 2-[(4,6-diphenylpyrimidin-2-yl)sulfanylmethyl]isoindole-1,3-dione Openeye Name: 2-[(4,6-diphenylpyrimidin-2-yl)sulfanylmethyl]isoindoline-1,3-dione CAS Name: 2-[[(4,6-diphenyl-2-pyrimidinyl)thio]methyl]isoindole-1,3-dione IUPAC Name: 2-[(4,6-diphenylpyrimidin-2-yl)sulfanylmethyl]isoindole-1,3-dione Traditional Name: 2-[[(4,6-diphenylpyrimidin-2-yl)thio]methyl]isoindoline-1,3-quinone Formula: C25H17N3O2S MolecularWeight: 423.48638

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC(=NC(=N2)SCN3C(=O)C4=CC=CC=C4C3=O)C5=CC=CC=C5

Isomeric SMILES

C1=CC=C(C=C1)C2=CC(=NC(=N2)SCN3C(=O)C4=CC=CC=C4C3=O)C5=CC=CC=C5

InChI

InChI=1S/C25H17N3O2S/c29-23-19-13-7-8-14-20(19)24(30)28(23)16-31-25-26-21(17-9-3-1-4-10-17)15-22(27-25)18-11-5-2-6-12-18/h1-15H,16H2