2-[2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylethyl]isoindole-1,3-dione

Systemtic Name: 2-[2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylethyl]isoindole-1,3-dione Openeye Name: 2-[2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylethyl]isoindoline-1,3-dione CAS Name: 2-[2-[(4,5,6-trimethyl-2-pyrimidinyl)thio]ethyl]isoindole-1,3-dione IUPAC Name: 2-[2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylethyl]isoindole-1,3-dione Traditional Name: 2-[2-[(4,5,6-trimethylpyrimidin-2-yl)thio]ethyl]isoindoline-1,3-quinone Formula: C17H17N3O2S MolecularWeight: 327.40078

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(N=C1C)SCCN2C(=O)C3=CC=CC=C3C2=O)C

Isomeric SMILES

CC1=C(N=C(N=C1C)SCCN2C(=O)C3=CC=CC=C3C2=O)C

InChI

InChI=1S/C17H17N3O2S/c1-10-11(2)18-17(19-12(10)3)23-9-8-20-15(21)13-6-4-5-7-14(13)16(20)22/h4-7H,8-9H2,1-3H3