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

Systemtic Name: 1-(5-chloranyl-2-methoxy-phenyl)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-4-phenylsulfanyl-pyrrole-2,5-dione Openeye Name: 1-(5-chloro-2-methoxy-phenyl)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-4-phenylsulfanyl-pyrrole-2,5-dione CAS Name: 1-(5-chloro-2-methoxyphenyl)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-4-(phenylthio)pyrrole-2,5-dione IUPAC Name: 1-(5-chloro-2-methoxyphenyl)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-4-phenylsulfanylpyrrole-2,5-dione Traditional Name: 1-(5-chloro-2-methoxy-phenyl)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-4-(phenylthio)-3-pyrroline-2,5-quinone Formula: C26H21ClN2O3S MolecularWeight: 476.97454

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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