2-[2-(3,4-dimethoxyphenyl)ethyl]-6-pyridin-2-ylsulfanyl-benzo[de]isoquinoline-1,3-dione

Systemtic Name: 2-[2-(3,4-dimethoxyphenyl)ethyl]-6-pyridin-2-ylsulfanyl-benzo[de]isoquinoline-1,3-dione Openeye Name: 2-[2-(3,4-dimethoxyphenyl)ethyl]-6-(2-pyridylsulfanyl)benzo[de]isoquinoline-1,3-dione CAS Name: 2-[2-(3,4-dimethoxyphenyl)ethyl]-6-(2-pyridinylthio)benzo[de]isoquinoline-1,3-dione IUPAC Name: 2-[2-(3,4-dimethoxyphenyl)ethyl]-6-pyridin-2-ylsulfanylbenzo[de]isoquinoline-1,3-dione Traditional Name: 2-homoveratryl-6-(2-pyridylthio)benzo[de]isoquinoline-1,3-quinone Formula: C27H22N2O4S MolecularWeight: 470.53958

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCN2C(=O)C3=C4C(=C(C=C3)SC5=CC=CC=N5)C=CC=C4C2=O)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCN2C(=O)C3=C4C(=C(C=C3)SC5=CC=CC=N5)C=CC=C4C2=O)OC

InChI

InChI=1S/C27H22N2O4S/c1-32-21-11-9-17(16-22(21)33-2)13-15-29-26(30)19-7-5-6-18-23(34-24-8-3-4-14-28-24)12-10-20(25(18)19)27(29)31/h3-12,14,16H,13,15H2,1-2H3