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

Systemtic Name: 3-(3,4-dihydro-1H-isoquinolin-2-yl)-4-(4-methylphenyl)sulfanyl-1-(4-phenoxyphenyl)pyrrole-2,5-dione Openeye Name: 3-(3,4-dihydro-1H-isoquinolin-2-yl)-1-(4-phenoxyphenyl)-4-(p-tolylsulfanyl)pyrrole-2,5-dione CAS Name: 3-(3,4-dihydro-1H-isoquinolin-2-yl)-4-[(4-methylphenyl)thio]-1-(4-phenoxyphenyl)pyrrole-2,5-dione IUPAC Name: 3-(3,4-dihydro-1H-isoquinolin-2-yl)-4-(4-methylphenyl)sulfanyl-1-(4-phenoxyphenyl)pyrrole-2,5-dione Traditional Name: 3-(3,4-dihydro-1H-isoquinolin-2-yl)-1-(4-phenoxyphenyl)-4-(p-tolylthio)-3-pyrroline-2,5-quinone Formula: C32H26N2O3S MolecularWeight: 518.62544

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC2=C(C(=O)N(C2=O)C3=CC=C(C=C3)OC4=CC=CC=C4)N5CCC6=CC=CC=C6C5

Isomeric SMILES

CC1=CC=C(C=C1)SC2=C(C(=O)N(C2=O)C3=CC=C(C=C3)OC4=CC=CC=C4)N5CCC6=CC=CC=C6C5

InChI

InChI=1S/C32H26N2O3S/c1-22-11-17-28(18-12-22)38-30-29(33-20-19-23-7-5-6-8-24(23)21-33)31(35)34(32(30)36)25-13-15-27(16-14-25)37-26-9-3-2-4-10-26/h2-18H,19-21H2,1H3