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

Systemtic Name: 3-(3,4-dihydro-1H-isoquinolin-2-yl)-1-(phenylmethyl)-4-phenylsulfanyl-pyrrole-2,5-dione Openeye Name: 1-benzyl-3-(3,4-dihydro-1H-isoquinolin-2-yl)-4-phenylsulfanyl-pyrrole-2,5-dione CAS Name: 3-(3,4-dihydro-1H-isoquinolin-2-yl)-1-(phenylmethyl)-4-(phenylthio)pyrrole-2,5-dione IUPAC Name: 1-benzyl-3-(3,4-dihydro-1H-isoquinolin-2-yl)-4-phenylsulfanylpyrrole-2,5-dione Traditional Name: 1-benzyl-3-(3,4-dihydro-1H-isoquinolin-2-yl)-4-(phenylthio)-3-pyrroline-2,5-quinone Formula: C26H22N2O2S MolecularWeight: 426.53008

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)C3=C(C(=O)N(C3=O)CC4=CC=CC=C4)SC5=CC=CC=C5

Isomeric SMILES

C1CN(CC2=CC=CC=C21)C3=C(C(=O)N(C3=O)CC4=CC=CC=C4)SC5=CC=CC=C5

InChI

InChI=1S/C26H22N2O2S/c29-25-23(27-16-15-20-11-7-8-12-21(20)18-27)24(31-22-13-5-2-6-14-22)26(30)28(25)17-19-9-3-1-4-10-19/h1-14H,15-18H2