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

Systemtic Name: 3-(3,4-dihydro-1H-isoquinolin-2-yl)-4-(4-methylphenyl)sulfanyl-1-(phenylmethyl)pyrrole-2,5-dione Openeye Name: 1-benzyl-3-(3,4-dihydro-1H-isoquinolin-2-yl)-4-(p-tolylsulfanyl)pyrrole-2,5-dione CAS Name: 3-(3,4-dihydro-1H-isoquinolin-2-yl)-4-[(4-methylphenyl)thio]-1-(phenylmethyl)pyrrole-2,5-dione IUPAC Name: 1-benzyl-3-(3,4-dihydro-1H-isoquinolin-2-yl)-4-(4-methylphenyl)sulfanylpyrrole-2,5-dione Traditional Name: 1-benzyl-3-(3,4-dihydro-1H-isoquinolin-2-yl)-4-(p-tolylthio)-3-pyrroline-2,5-quinone Formula: C27H24N2O2S MolecularWeight: 440.55666

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC2=C(C(=O)N(C2=O)CC3=CC=CC=C3)N4CCC5=CC=CC=C5C4

Isomeric SMILES

CC1=CC=C(C=C1)SC2=C(C(=O)N(C2=O)CC3=CC=CC=C3)N4CCC5=CC=CC=C5C4

InChI

InChI=1S/C27H24N2O2S/c1-19-11-13-23(14-12-19)32-25-24(28-16-15-21-9-5-6-10-22(21)18-28)26(30)29(27(25)31)17-20-7-3-2-4-8-20/h2-14H,15-18H2,1H3