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

Systemtic Name: 3-(3,4-dihydro-1H-isoquinolin-2-yl)-1-(3,5-dimethylphenyl)-4-(4-methylphenyl)sulfanyl-pyrrole-2,5-dione Openeye Name: 3-(3,4-dihydro-1H-isoquinolin-2-yl)-1-(3,5-dimethylphenyl)-4-(p-tolylsulfanyl)pyrrole-2,5-dione CAS Name: 3-(3,4-dihydro-1H-isoquinolin-2-yl)-1-(3,5-dimethylphenyl)-4-[(4-methylphenyl)thio]pyrrole-2,5-dione IUPAC Name: 3-(3,4-dihydro-1H-isoquinolin-2-yl)-1-(3,5-dimethylphenyl)-4-(4-methylphenyl)sulfanylpyrrole-2,5-dione Traditional Name: 3-(3,4-dihydro-1H-isoquinolin-2-yl)-1-(3,5-dimethylphenyl)-4-(p-tolylthio)-3-pyrroline-2,5-quinone Formula: C28H26N2O2S MolecularWeight: 454.58324

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC2=C(C(=O)N(C2=O)C3=CC(=CC(=C3)C)C)N4CCC5=CC=CC=C5C4

Isomeric SMILES

CC1=CC=C(C=C1)SC2=C(C(=O)N(C2=O)C3=CC(=CC(=C3)C)C)N4CCC5=CC=CC=C5C4

InChI

InChI=1S/C28H26N2O2S/c1-18-8-10-24(11-9-18)33-26-25(29-13-12-21-6-4-5-7-22(21)17-29)27(31)30(28(26)32)23-15-19(2)14-20(3)16-23/h4-11,14-16H,12-13,17H2,1-3H3