2-(2,2-dimethyl-3-pyridin-4-ylsulfanyl-propyl)isoindole-1,3-dione

Systemtic Name: 2-(2,2-dimethyl-3-pyridin-4-ylsulfanyl-propyl)isoindole-1,3-dione Openeye Name: 2-[2,2-dimethyl-3-(4-pyridylsulfanyl)propyl]isoindoline-1,3-dione CAS Name: 2-[2,2-dimethyl-3-(pyridin-4-ylthio)propyl]isoindole-1,3-dione IUPAC Name: 2-(2,2-dimethyl-3-pyridin-4-ylsulfanylpropyl)isoindole-1,3-dione Traditional Name: 2-[2,2-dimethyl-3-(4-pyridylthio)propyl]isoindoline-1,3-quinone Formula: C18H18N2O2S MolecularWeight: 326.41272

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CN1C(=O)C2=CC=CC=C2C1=O)CSC3=CC=NC=C3

Isomeric SMILES

CC(C)(CN1C(=O)C2=CC=CC=C2C1=O)CSC3=CC=NC=C3

InChI

InChI=1S/C18H18N2O2S/c1-18(2,12-23-13-7-9-19-10-8-13)11-20-16(21)14-5-3-4-6-15(14)17(20)22/h3-10H,11-12H2,1-2H3