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

Systemtic Name: 3-(4-chlorophenyl)sulfanyl-4-(3,4-dihydro-1H-isoquinolin-2-yl)-1-(4-methoxyphenyl)pyrrole-2,5-dione Openeye Name: 3-(4-chlorophenyl)sulfanyl-4-(3,4-dihydro-1H-isoquinolin-2-yl)-1-(4-methoxyphenyl)pyrrole-2,5-dione CAS Name: 3-[(4-chlorophenyl)thio]-4-(3,4-dihydro-1H-isoquinolin-2-yl)-1-(4-methoxyphenyl)pyrrole-2,5-dione IUPAC Name: 3-(4-chlorophenyl)sulfanyl-4-(3,4-dihydro-1H-isoquinolin-2-yl)-1-(4-methoxyphenyl)pyrrole-2,5-dione Traditional Name: 3-[(4-chlorophenyl)thio]-4-(3,4-dihydro-1H-isoquinolin-2-yl)-1-(4-methoxyphenyl)-3-pyrroline-2,5-quinone Formula: C26H21ClN2O3S MolecularWeight: 476.97454

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2C(=O)C(=C(C2=O)SC3=CC=C(C=C3)Cl)N4CCC5=CC=CC=C5C4

Isomeric SMILES

COC1=CC=C(C=C1)N2C(=O)C(=C(C2=O)SC3=CC=C(C=C3)Cl)N4CCC5=CC=CC=C5C4

InChI

InChI=1S/C26H21ClN2O3S/c1-32-21-10-8-20(9-11-21)29-25(30)23(28-15-14-17-4-2-3-5-18(17)16-28)24(26(29)31)33-22-12-6-19(27)7-13-22/h2-13H,14-16H2,1H3