1-(3-chloranyl-4-fluoranyl-phenyl)-3-(4-phenylpiperazin-1-yl)-4-phenylsulfanyl-pyrrole-2,5-dione

Systemtic Name: 1-(3-chloranyl-4-fluoranyl-phenyl)-3-(4-phenylpiperazin-1-yl)-4-phenylsulfanyl-pyrrole-2,5-dione Openeye Name: 1-(3-chloro-4-fluoro-phenyl)-3-(4-phenylpiperazin-1-yl)-4-phenylsulfanyl-pyrrole-2,5-dione CAS Name: 1-(3-chloro-4-fluorophenyl)-3-(4-phenyl-1-piperazinyl)-4-(phenylthio)pyrrole-2,5-dione IUPAC Name: 1-(3-chloro-4-fluorophenyl)-3-(4-phenylpiperazin-1-yl)-4-phenylsulfanylpyrrole-2,5-dione Traditional Name: 1-(3-chloro-4-fluoro-phenyl)-3-(4-phenylpiperazino)-4-(phenylthio)-3-pyrroline-2,5-quinone Formula: C26H21ClFN3O2S MolecularWeight: 493.980243

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H21ClFN3O2S/c27-21-17-19(11-12-22(21)28)31-25(32)23(24(26(31)33)34-20-9-5-2-6-10-20)30-15-13-29(14-16-30)18-7-3-1-4-8-18/h1-12,17H,13-16H2