3-(3,4-dihydro-1H-isoquinolin-2-yl)-4-phenylsulfanyl-1-[3-(trifluoromethyl)phenyl]pyrrole-2,5-dione

Systemtic Name: 3-(3,4-dihydro-1H-isoquinolin-2-yl)-4-phenylsulfanyl-1-[3-(trifluoromethyl)phenyl]pyrrole-2,5-dione Openeye Name: 3-(3,4-dihydro-1H-isoquinolin-2-yl)-4-phenylsulfanyl-1-[3-(trifluoromethyl)phenyl]pyrrole-2,5-dione CAS Name: 3-(3,4-dihydro-1H-isoquinolin-2-yl)-4-(phenylthio)-1-[3-(trifluoromethyl)phenyl]pyrrole-2,5-dione IUPAC Name: 3-(3,4-dihydro-1H-isoquinolin-2-yl)-4-phenylsulfanyl-1-[3-(trifluoromethyl)phenyl]pyrrole-2,5-dione Traditional Name: 3-(3,4-dihydro-1H-isoquinolin-2-yl)-4-(phenylthio)-1-[3-(trifluoromethyl)phenyl]-3-pyrroline-2,5-quinone Formula: C26H19F3N2O2S MolecularWeight: 480.50147

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H19F3N2O2S/c27-26(28,29)19-9-6-10-20(15-19)31-24(32)22(23(25(31)33)34-21-11-2-1-3-12-21)30-14-13-17-7-4-5-8-18(17)16-30/h1-12,15H,13-14,16H2