6-(2-hydroxyethylsulfanyl)-2-(2-pyridin-2-ylethyl)benzo[de]isoquinoline-1,3-dione

Systemtic Name: 6-(2-hydroxyethylsulfanyl)-2-(2-pyridin-2-ylethyl)benzo[de]isoquinoline-1,3-dione Openeye Name: 6-(2-hydroxyethylsulfanyl)-2-[2-(2-pyridyl)ethyl]benzo[de]isoquinoline-1,3-dione CAS Name: 6-(2-hydroxyethylthio)-2-[2-(2-pyridinyl)ethyl]benzo[de]isoquinoline-1,3-dione IUPAC Name: 6-(2-hydroxyethylsulfanyl)-2-(2-pyridin-2-ylethyl)benzo[de]isoquinoline-1,3-dione Traditional Name: 6-(2-hydroxyethylthio)-2-[2-(2-pyridyl)ethyl]benzo[de]isoquinoline-1,3-quinone Formula: C21H18N2O3S MolecularWeight: 378.44422

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=NC(=C1)CCN2C(=O)C3=C4C(=C(C=C3)SCCO)C=CC=C4C2=O

Isomeric SMILES

C1=CC=NC(=C1)CCN2C(=O)C3=C4C(=C(C=C3)SCCO)C=CC=C4C2=O

InChI

InChI=1S/C21H18N2O3S/c24-12-13-27-18-8-7-17-19-15(18)5-3-6-16(19)20(25)23(21(17)26)11-9-14-4-1-2-10-22-14/h1-8,10,24H,9,11-13H2