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

Systemtic Name: 3-(4-chlorophenyl)sulfanyl-4-(3,4-dihydro-1H-isoquinolin-2-yl)-1-(phenylmethyl)pyrrole-2,5-dione Openeye Name: 1-benzyl-3-(4-chlorophenyl)sulfanyl-4-(3,4-dihydro-1H-isoquinolin-2-yl)pyrrole-2,5-dione CAS Name: 3-[(4-chlorophenyl)thio]-4-(3,4-dihydro-1H-isoquinolin-2-yl)-1-(phenylmethyl)pyrrole-2,5-dione IUPAC Name: 1-benzyl-3-(4-chlorophenyl)sulfanyl-4-(3,4-dihydro-1H-isoquinolin-2-yl)pyrrole-2,5-dione Traditional Name: 1-benzyl-3-[(4-chlorophenyl)thio]-4-(3,4-dihydro-1H-isoquinolin-2-yl)-3-pyrroline-2,5-quinone Formula: C26H21ClN2O2S MolecularWeight: 460.97514

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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=C(C=C5)Cl

Isomeric SMILES

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

InChI

InChI=1S/C26H21ClN2O2S/c27-21-10-12-22(13-11-21)32-24-23(28-15-14-19-8-4-5-9-20(19)17-28)25(30)29(26(24)31)16-18-6-2-1-3-7-18/h1-13H,14-17H2