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

Systemtic Name: 3-(4-chlorophenyl)sulfanyl-4-(3,4-dihydro-1H-isoquinolin-2-yl)-1-phenyl-pyrrole-2,5-dione Openeye Name: 3-(4-chlorophenyl)sulfanyl-4-(3,4-dihydro-1H-isoquinolin-2-yl)-1-phenyl-pyrrole-2,5-dione CAS Name: 3-[(4-chlorophenyl)thio]-4-(3,4-dihydro-1H-isoquinolin-2-yl)-1-phenylpyrrole-2,5-dione IUPAC Name: 3-(4-chlorophenyl)sulfanyl-4-(3,4-dihydro-1H-isoquinolin-2-yl)-1-phenylpyrrole-2,5-dione Traditional Name: 3-[(4-chlorophenyl)thio]-4-(3,4-dihydro-1H-isoquinolin-2-yl)-1-phenyl-3-pyrroline-2,5-quinone Formula: C25H19ClN2O2S MolecularWeight: 446.94856

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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)SC5=CC=C(C=C5)Cl

Isomeric SMILES

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

InChI

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