3-(3,4-dihydro-1H-isoquinolin-2-yl)-1-(4-fluorophenyl)-4-phenylsulfanyl-pyrrole-2,5-dione

Systemtic Name: 3-(3,4-dihydro-1H-isoquinolin-2-yl)-1-(4-fluorophenyl)-4-phenylsulfanyl-pyrrole-2,5-dione Openeye Name: 3-(3,4-dihydro-1H-isoquinolin-2-yl)-1-(4-fluorophenyl)-4-phenylsulfanyl-pyrrole-2,5-dione CAS Name: 3-(3,4-dihydro-1H-isoquinolin-2-yl)-1-(4-fluorophenyl)-4-(phenylthio)pyrrole-2,5-dione IUPAC Name: 3-(3,4-dihydro-1H-isoquinolin-2-yl)-1-(4-fluorophenyl)-4-phenylsulfanylpyrrole-2,5-dione Traditional Name: 3-(3,4-dihydro-1H-isoquinolin-2-yl)-1-(4-fluorophenyl)-4-(phenylthio)-3-pyrroline-2,5-quinone Formula: C25H19FN2O2S MolecularWeight: 430.493963

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)C3=C(C(=O)N(C3=O)C4=CC=C(C=C4)F)SC5=CC=CC=C5

Isomeric SMILES

C1CN(CC2=CC=CC=C21)C3=C(C(=O)N(C3=O)C4=CC=C(C=C4)F)SC5=CC=CC=C5

InChI

InChI=1S/C25H19FN2O2S/c26-19-10-12-20(13-11-19)28-24(29)22(23(25(28)30)31-21-8-2-1-3-9-21)27-15-14-17-6-4-5-7-18(17)16-27/h1-13H,14-16H2