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

Systemtic Name: 1-(5-chloranyl-2-methoxy-phenyl)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-4-(4-methylphenyl)sulfanyl-pyrrole-2,5-dione Openeye Name: 1-(5-chloro-2-methoxy-phenyl)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-4-(p-tolylsulfanyl)pyrrole-2,5-dione CAS Name: 1-(5-chloro-2-methoxyphenyl)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-4-[(4-methylphenyl)thio]pyrrole-2,5-dione IUPAC Name: 1-(5-chloro-2-methoxyphenyl)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-4-(4-methylphenyl)sulfanylpyrrole-2,5-dione Traditional Name: 1-(5-chloro-2-methoxy-phenyl)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-4-(p-tolylthio)-3-pyrroline-2,5-quinone Formula: C27H23ClN2O3S MolecularWeight: 491.00112

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H23ClN2O3S/c1-17-7-10-21(11-8-17)34-25-24(29-14-13-18-5-3-4-6-19(18)16-29)26(31)30(27(25)32)22-15-20(28)9-12-23(22)33-2/h3-12,15H,13-14,16H2,1-2H3