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

Systemtic Name: 1-(3-chloranyl-4-methyl-phenyl)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-4-(4-methylphenyl)sulfanyl-pyrrole-2,5-dione Openeye Name: 1-(3-chloro-4-methyl-phenyl)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-4-(p-tolylsulfanyl)pyrrole-2,5-dione CAS Name: 1-(3-chloro-4-methylphenyl)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-4-[(4-methylphenyl)thio]pyrrole-2,5-dione IUPAC Name: 1-(3-chloro-4-methylphenyl)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-4-(4-methylphenyl)sulfanylpyrrole-2,5-dione Traditional Name: 1-(3-chloro-4-methyl-phenyl)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-4-(p-tolylthio)-3-pyrroline-2,5-quinone Formula: C27H23ClN2O2S MolecularWeight: 475.00172

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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)C)Cl)N4CCC5=CC=CC=C5C4

Isomeric SMILES

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

InChI

InChI=1S/C27H23ClN2O2S/c1-17-7-11-22(12-8-17)33-25-24(29-14-13-19-5-3-4-6-20(19)16-29)26(31)30(27(25)32)21-10-9-18(2)23(28)15-21/h3-12,15H,13-14,16H2,1-2H3