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

Systemtic Name: 1-(4-butylphenyl)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-4-(4-methylphenyl)sulfanyl-pyrrole-2,5-dione Openeye Name: 1-(4-butylphenyl)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-4-(p-tolylsulfanyl)pyrrole-2,5-dione CAS Name: 1-(4-butylphenyl)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-4-[(4-methylphenyl)thio]pyrrole-2,5-dione IUPAC Name: 1-(4-butylphenyl)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-4-(4-methylphenyl)sulfanylpyrrole-2,5-dione Traditional Name: 1-(4-butylphenyl)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-4-(p-tolylthio)-3-pyrroline-2,5-quinone Formula: C30H30N2O2S MolecularWeight: 482.6364

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C30H30N2O2S/c1-3-4-7-22-12-14-25(15-13-22)32-29(33)27(31-19-18-23-8-5-6-9-24(23)20-31)28(30(32)34)35-26-16-10-21(2)11-17-26/h5-6,8-17H,3-4,7,18-20H2,1-2H3