3-(4-phenylpiperazin-1-yl)-4-phenylsulfanyl-1-[3-(trifluoromethyl)phenyl]pyrrole-2,5-dione

Systemtic Name: 3-(4-phenylpiperazin-1-yl)-4-phenylsulfanyl-1-[3-(trifluoromethyl)phenyl]pyrrole-2,5-dione Openeye Name: 3-(4-phenylpiperazin-1-yl)-4-phenylsulfanyl-1-[3-(trifluoromethyl)phenyl]pyrrole-2,5-dione CAS Name: 3-(4-phenyl-1-piperazinyl)-4-(phenylthio)-1-[3-(trifluoromethyl)phenyl]pyrrole-2,5-dione IUPAC Name: 3-(4-phenylpiperazin-1-yl)-4-phenylsulfanyl-1-[3-(trifluoromethyl)phenyl]pyrrole-2,5-dione Traditional Name: 3-(4-phenylpiperazino)-4-(phenylthio)-1-[3-(trifluoromethyl)phenyl]-3-pyrroline-2,5-quinone Formula: C27H22F3N3O2S MolecularWeight: 509.54269

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=C2)C3=C(C(=O)N(C3=O)C4=CC=CC(=C4)C(F)(F)F)SC5=CC=CC=C5

Isomeric SMILES

C1CN(CCN1C2=CC=CC=C2)C3=C(C(=O)N(C3=O)C4=CC=CC(=C4)C(F)(F)F)SC5=CC=CC=C5

InChI

InChI=1S/C27H22F3N3O2S/c28-27(29,30)19-8-7-11-21(18-19)33-25(34)23(24(26(33)35)36-22-12-5-2-6-13-22)32-16-14-31(15-17-32)20-9-3-1-4-10-20/h1-13,18H,14-17H2