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

Systemtic Name: 3-(4-chlorophenyl)sulfanyl-4-(3,4-dihydro-1H-isoquinolin-2-yl)-1-(4-phenoxyphenyl)pyrrole-2,5-dione Openeye Name: 3-(4-chlorophenyl)sulfanyl-4-(3,4-dihydro-1H-isoquinolin-2-yl)-1-(4-phenoxyphenyl)pyrrole-2,5-dione CAS Name: 3-[(4-chlorophenyl)thio]-4-(3,4-dihydro-1H-isoquinolin-2-yl)-1-(4-phenoxyphenyl)pyrrole-2,5-dione IUPAC Name: 3-(4-chlorophenyl)sulfanyl-4-(3,4-dihydro-1H-isoquinolin-2-yl)-1-(4-phenoxyphenyl)pyrrole-2,5-dione Traditional Name: 3-[(4-chlorophenyl)thio]-4-(3,4-dihydro-1H-isoquinolin-2-yl)-1-(4-phenoxyphenyl)-3-pyrroline-2,5-quinone Formula: C31H23ClN2O3S MolecularWeight: 539.04392

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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=C(C=C6)Cl

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=C(C=C6)Cl

InChI

InChI=1S/C31H23ClN2O3S/c32-23-10-16-27(17-11-23)38-29-28(33-19-18-21-6-4-5-7-22(21)20-33)30(35)34(31(29)36)24-12-14-26(15-13-24)37-25-8-2-1-3-9-25/h1-17H,18-20H2