1-(4-butylphenyl)-3-(4-methylphenyl)sulfanyl-4-morpholin-4-yl-pyrrole-2,5-dione

Systemtic Name: 1-(4-butylphenyl)-3-(4-methylphenyl)sulfanyl-4-morpholin-4-yl-pyrrole-2,5-dione Openeye Name: 1-(4-butylphenyl)-3-morpholino-4-(p-tolylsulfanyl)pyrrole-2,5-dione CAS Name: 1-(4-butylphenyl)-3-[(4-methylphenyl)thio]-4-(4-morpholinyl)pyrrole-2,5-dione IUPAC Name: 1-(4-butylphenyl)-3-(4-methylphenyl)sulfanyl-4-morpholin-4-ylpyrrole-2,5-dione Traditional Name: 1-(4-butylphenyl)-3-morpholino-4-(p-tolylthio)-3-pyrroline-2,5-quinone Formula: C25H28N2O3S MolecularWeight: 436.56642

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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)N4CCOCC4

Isomeric SMILES

CCCCC1=CC=C(C=C1)N2C(=O)C(=C(C2=O)SC3=CC=C(C=C3)C)N4CCOCC4

InChI

InChI=1S/C25H28N2O3S/c1-3-4-5-19-8-10-20(11-9-19)27-24(28)22(26-14-16-30-17-15-26)23(25(27)29)31-21-12-6-18(2)7-13-21/h6-13H,3-5,14-17H2,1-2H3