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

Systemtic Name: 3-(3,4-dihydro-1H-isoquinolin-2-yl)-1-(4-phenoxyphenyl)-4-phenylsulfanyl-pyrrole-2,5-dione Openeye Name: 3-(3,4-dihydro-1H-isoquinolin-2-yl)-1-(4-phenoxyphenyl)-4-phenylsulfanyl-pyrrole-2,5-dione CAS Name: 3-(3,4-dihydro-1H-isoquinolin-2-yl)-1-(4-phenoxyphenyl)-4-(phenylthio)pyrrole-2,5-dione IUPAC Name: 3-(3,4-dihydro-1H-isoquinolin-2-yl)-1-(4-phenoxyphenyl)-4-phenylsulfanylpyrrole-2,5-dione Traditional Name: 3-(3,4-dihydro-1H-isoquinolin-2-yl)-1-(4-phenoxyphenyl)-4-(phenylthio)-3-pyrroline-2,5-quinone Formula: C31H24N2O3S MolecularWeight: 504.59886

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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)OC5=CC=CC=C5)SC6=CC=CC=C6

Isomeric SMILES

C1CN(CC2=CC=CC=C21)C3=C(C(=O)N(C3=O)C4=CC=C(C=C4)OC5=CC=CC=C5)SC6=CC=CC=C6

InChI

InChI=1S/C31H24N2O3S/c34-30-28(32-20-19-22-9-7-8-10-23(22)21-32)29(37-27-13-5-2-6-14-27)31(35)33(30)24-15-17-26(18-16-24)36-25-11-3-1-4-12-25/h1-18H,19-21H2