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

Systemtic Name: 2-(2-pyrimidin-2-ylsulfanylethyl)isoindole-1,3-dione Openeye Name: 2-(2-pyrimidin-2-ylsulfanylethyl)isoindoline-1,3-dione CAS Name: 2-[2-(2-pyrimidinylthio)ethyl]isoindole-1,3-dione IUPAC Name: 2-(2-pyrimidin-2-ylsulfanylethyl)isoindole-1,3-dione Traditional Name: 2-[2-(2-pyrimidylthio)ethyl]isoindoline-1,3-quinone Formula: C14H11N3O2S MolecularWeight: 285.32104

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C2=O)CCSC3=NC=CC=N3

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C2=O)CCSC3=NC=CC=N3

InChI

InChI=1S/C14H11N3O2S/c18-12-10-4-1-2-5-11(10)13(19)17(12)8-9-20-14-15-6-3-7-16-14/h1-7H,8-9H2