2-[2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanylethyl]isoindole-1,3-dione

Systemtic Name: 2-[2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanylethyl]isoindole-1,3-dione Openeye Name: 2-[2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanylethyl]isoindoline-1,3-dione CAS Name: 2-[2-[(4-methyl-6-phenyl-2-pyrimidinyl)thio]ethyl]isoindole-1,3-dione IUPAC Name: 2-[2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanylethyl]isoindole-1,3-dione Traditional Name: 2-[2-[(4-methyl-6-phenyl-pyrimidin-2-yl)thio]ethyl]isoindoline-1,3-quinone Formula: C21H17N3O2S MolecularWeight: 375.44358

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NC(=C1)C2=CC=CC=C2)SCCN3C(=O)C4=CC=CC=C4C3=O

Isomeric SMILES

CC1=NC(=NC(=C1)C2=CC=CC=C2)SCCN3C(=O)C4=CC=CC=C4C3=O

InChI

InChI=1S/C21H17N3O2S/c1-14-13-18(15-7-3-2-4-8-15)23-21(22-14)27-12-11-24-19(25)16-9-5-6-10-17(16)20(24)26/h2-10,13H,11-12H2,1H3