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

Systemtic Name: 3-(3,4-dihydro-1H-isoquinolin-2-yl)-1-(4-ethylphenyl)-4-phenylsulfanyl-pyrrole-2,5-dione Openeye Name: 3-(3,4-dihydro-1H-isoquinolin-2-yl)-1-(4-ethylphenyl)-4-phenylsulfanyl-pyrrole-2,5-dione CAS Name: 3-(3,4-dihydro-1H-isoquinolin-2-yl)-1-(4-ethylphenyl)-4-(phenylthio)pyrrole-2,5-dione IUPAC Name: 3-(3,4-dihydro-1H-isoquinolin-2-yl)-1-(4-ethylphenyl)-4-phenylsulfanylpyrrole-2,5-dione Traditional Name: 3-(3,4-dihydro-1H-isoquinolin-2-yl)-1-(4-ethylphenyl)-4-(phenylthio)-3-pyrroline-2,5-quinone Formula: C27H24N2O2S MolecularWeight: 440.55666

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)N2C(=O)C(=C(C2=O)SC3=CC=CC=C3)N4CCC5=CC=CC=C5C4

Isomeric SMILES

CCC1=CC=C(C=C1)N2C(=O)C(=C(C2=O)SC3=CC=CC=C3)N4CCC5=CC=CC=C5C4

InChI

InChI=1S/C27H24N2O2S/c1-2-19-12-14-22(15-13-19)29-26(30)24(25(27(29)31)32-23-10-4-3-5-11-23)28-17-16-20-8-6-7-9-21(20)18-28/h3-15H,2,16-18H2,1H3