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

Systemtic Name: 1-(4-butylphenyl)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-4-phenylsulfanyl-pyrrole-2,5-dione Openeye Name: 1-(4-butylphenyl)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-4-phenylsulfanyl-pyrrole-2,5-dione CAS Name: 1-(4-butylphenyl)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-4-(phenylthio)pyrrole-2,5-dione IUPAC Name: 1-(4-butylphenyl)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-4-phenylsulfanylpyrrole-2,5-dione Traditional Name: 1-(4-butylphenyl)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-4-(phenylthio)-3-pyrroline-2,5-quinone Formula: C29H28N2O2S MolecularWeight: 468.60982

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)N2C(=O)C(=C(C2=O)SC3=CC=CC=C3)N4CCC5=CC=CC=C5C4

Isomeric SMILES

CCCCC1=CC=C(C=C1)N2C(=O)C(=C(C2=O)SC3=CC=CC=C3)N4CCC5=CC=CC=C5C4

InChI

InChI=1S/C29H28N2O2S/c1-2-3-9-21-14-16-24(17-15-21)31-28(32)26(27(29(31)33)34-25-12-5-4-6-13-25)30-19-18-22-10-7-8-11-23(22)20-30/h4-8,10-17H,2-3,9,18-20H2,1H3