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

Systemtic Name: 3-(3,4-dihydro-1H-isoquinolin-2-yl)-1-(4-methoxyphenyl)-4-(4-methylphenyl)sulfanyl-pyrrole-2,5-dione Openeye Name: 3-(3,4-dihydro-1H-isoquinolin-2-yl)-1-(4-methoxyphenyl)-4-(p-tolylsulfanyl)pyrrole-2,5-dione CAS Name: 3-(3,4-dihydro-1H-isoquinolin-2-yl)-1-(4-methoxyphenyl)-4-[(4-methylphenyl)thio]pyrrole-2,5-dione IUPAC Name: 3-(3,4-dihydro-1H-isoquinolin-2-yl)-1-(4-methoxyphenyl)-4-(4-methylphenyl)sulfanylpyrrole-2,5-dione Traditional Name: 3-(3,4-dihydro-1H-isoquinolin-2-yl)-1-(4-methoxyphenyl)-4-(p-tolylthio)-3-pyrroline-2,5-quinone Formula: C27H24N2O3S MolecularWeight: 456.55606

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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)OC)N4CCC5=CC=CC=C5C4

Isomeric SMILES

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

InChI

InChI=1S/C27H24N2O3S/c1-18-7-13-23(14-8-18)33-25-24(28-16-15-19-5-3-4-6-20(19)17-28)26(30)29(27(25)31)21-9-11-22(32-2)12-10-21/h3-14H,15-17H2,1-2H3