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

Systemtic Name: 3-(3,4-dihydro-1H-isoquinolin-2-yl)-1-phenyl-4-phenylsulfanyl-pyrrole-2,5-dione Openeye Name: 3-(3,4-dihydro-1H-isoquinolin-2-yl)-1-phenyl-4-phenylsulfanyl-pyrrole-2,5-dione CAS Name: 3-(3,4-dihydro-1H-isoquinolin-2-yl)-1-phenyl-4-(phenylthio)pyrrole-2,5-dione IUPAC Name: 3-(3,4-dihydro-1H-isoquinolin-2-yl)-1-phenyl-4-phenylsulfanylpyrrole-2,5-dione Traditional Name: 3-(3,4-dihydro-1H-isoquinolin-2-yl)-1-phenyl-4-(phenylthio)-3-pyrroline-2,5-quinone Formula: C25H20N2O2S MolecularWeight: 412.5035

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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=CC=C5

Isomeric SMILES

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

InChI

InChI=1S/C25H20N2O2S/c28-24-22(26-16-15-18-9-7-8-10-19(18)17-26)23(30-21-13-5-2-6-14-21)25(29)27(24)20-11-3-1-4-12-20/h1-14H,15-17H2