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

Systemtic Name: 1-(3-chlorophenyl)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-4-(4-methylphenyl)sulfanyl-pyrrole-2,5-dione Openeye Name: 1-(3-chlorophenyl)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-4-(p-tolylsulfanyl)pyrrole-2,5-dione CAS Name: 1-(3-chlorophenyl)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-4-[(4-methylphenyl)thio]pyrrole-2,5-dione IUPAC Name: 1-(3-chlorophenyl)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-4-(4-methylphenyl)sulfanylpyrrole-2,5-dione Traditional Name: 1-(3-chlorophenyl)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-4-(p-tolylthio)-3-pyrroline-2,5-quinone Formula: C26H21ClN2O2S MolecularWeight: 460.97514

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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)Cl)N4CCC5=CC=CC=C5C4

Isomeric SMILES

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

InChI

InChI=1S/C26H21ClN2O2S/c1-17-9-11-22(12-10-17)32-24-23(28-14-13-18-5-2-3-6-19(18)16-28)25(30)29(26(24)31)21-8-4-7-20(27)15-21/h2-12,15H,13-14,16H2,1H3