4-(2-pyrimidin-2-ylsulfanylethyl)isoindole-1,3-dione

Systemtic Name: 4-(2-pyrimidin-2-ylsulfanylethyl)isoindole-1,3-dione Openeye Name: 4-(2-pyrimidin-2-ylsulfanylethyl)isoindoline-1,3-dione CAS Name: 4-[2-(2-pyrimidinylthio)ethyl]isoindole-1,3-dione IUPAC Name: 4-(2-pyrimidin-2-ylsulfanylethyl)isoindole-1,3-dione Traditional Name: 4-[2-(2-pyrimidylthio)ethyl]isoindoline-1,3-quinone Formula: C14H11N3O2S MolecularWeight: 285.32104

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C(=C1)CCSC3=NC=CC=N3)C(=O)NC2=O

Isomeric SMILES

C1=CC2=C(C(=C1)CCSC3=NC=CC=N3)C(=O)NC2=O

InChI

InChI=1S/C14H11N3O2S/c18-12-10-4-1-3-9(11(10)13(19)17-12)5-8-20-14-15-6-2-7-16-14/h1-4,6-7H,5,8H2,(H,17,18,19)