1-(4-butylphenyl)-3-phenylsulfanyl-4-[(4-propan-2-ylphenyl)amino]pyrrole-2,5-dione

Systemtic Name: 1-(4-butylphenyl)-3-phenylsulfanyl-4-[(4-propan-2-ylphenyl)amino]pyrrole-2,5-dione Openeye Name: 1-(4-butylphenyl)-3-(4-isopropylanilino)-4-phenylsulfanyl-pyrrole-2,5-dione CAS Name: 1-(4-butylphenyl)-3-(phenylthio)-4-(4-propan-2-ylanilino)pyrrole-2,5-dione IUPAC Name: 1-(4-butylphenyl)-3-phenylsulfanyl-4-(4-propan-2-ylanilino)pyrrole-2,5-dione Traditional Name: 1-(4-butylphenyl)-3-cumidino-4-(phenylthio)-3-pyrroline-2,5-quinone Formula: C29H30N2O2S MolecularWeight: 470.6257

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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)NC4=CC=C(C=C4)C(C)C

Isomeric SMILES

CCCCC1=CC=C(C=C1)N2C(=O)C(=C(C2=O)SC3=CC=CC=C3)NC4=CC=C(C=C4)C(C)C

InChI

InChI=1S/C29H30N2O2S/c1-4-5-9-21-12-18-24(19-13-21)31-28(32)26(30-23-16-14-22(15-17-23)20(2)3)27(29(31)33)34-25-10-7-6-8-11-25/h6-8,10-20,30H,4-5,9H2,1-3H3