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

Systemtic Name: 3-(4-methylphenyl)sulfanyl-1-phenyl-4-(4-phenylpiperazin-1-yl)pyrrole-2,5-dione Openeye Name: 1-phenyl-3-(4-phenylpiperazin-1-yl)-4-(p-tolylsulfanyl)pyrrole-2,5-dione CAS Name: 3-[(4-methylphenyl)thio]-1-phenyl-4-(4-phenyl-1-piperazinyl)pyrrole-2,5-dione IUPAC Name: 3-(4-methylphenyl)sulfanyl-1-phenyl-4-(4-phenylpiperazin-1-yl)pyrrole-2,5-dione Traditional Name: 1-phenyl-3-(4-phenylpiperazino)-4-(p-tolylthio)-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)SC2=C(C(=O)N(C2=O)C3=CC=CC=C3)N4CCN(CC4)C5=CC=CC=C5

Isomeric SMILES

CC1=CC=C(C=C1)SC2=C(C(=O)N(C2=O)C3=CC=CC=C3)N4CCN(CC4)C5=CC=CC=C5

InChI

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