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

Systemtic Name: 1-(3-chlorophenyl)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-4-phenylsulfanyl-pyrrole-2,5-dione Openeye Name: 1-(3-chlorophenyl)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-4-phenylsulfanyl-pyrrole-2,5-dione CAS Name: 1-(3-chlorophenyl)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-4-(phenylthio)pyrrole-2,5-dione IUPAC Name: 1-(3-chlorophenyl)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-4-phenylsulfanylpyrrole-2,5-dione Traditional Name: 1-(3-chlorophenyl)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-4-(phenylthio)-3-pyrroline-2,5-quinone Formula: C25H19ClN2O2S MolecularWeight: 446.94856

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H19ClN2O2S/c26-19-9-6-10-20(15-19)28-24(29)22(23(25(28)30)31-21-11-2-1-3-12-21)27-14-13-17-7-4-5-8-18(17)16-27/h1-12,15H,13-14,16H2