1-(4-methylphenyl)-3-(4-phenylpiperazin-1-yl)-4-phenylsulfanyl-pyrrole-2,5-dione

Systemtic Name: 1-(4-methylphenyl)-3-(4-phenylpiperazin-1-yl)-4-phenylsulfanyl-pyrrole-2,5-dione Openeye Name: 3-(4-phenylpiperazin-1-yl)-4-phenylsulfanyl-1-(p-tolyl)pyrrole-2,5-dione CAS Name: 1-(4-methylphenyl)-3-(4-phenyl-1-piperazinyl)-4-(phenylthio)pyrrole-2,5-dione IUPAC Name: 1-(4-methylphenyl)-3-(4-phenylpiperazin-1-yl)-4-phenylsulfanylpyrrole-2,5-dione Traditional Name: 3-(4-phenylpiperazino)-4-(phenylthio)-1-(p-tolyl)-3-pyrroline-2,5-quinone Formula: C27H25N3O2S MolecularWeight: 455.5713

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=O)C(=C(C2=O)SC3=CC=CC=C3)N4CCN(CC4)C5=CC=CC=C5

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=O)C(=C(C2=O)SC3=CC=CC=C3)N4CCN(CC4)C5=CC=CC=C5

InChI

InChI=1S/C27H25N3O2S/c1-20-12-14-22(15-13-20)30-26(31)24(25(27(30)32)33-23-10-6-3-7-11-23)29-18-16-28(17-19-29)21-8-4-2-5-9-21/h2-15H,16-19H2,1H3