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

Systemtic Name: 1-(3-chloranyl-4-fluoranyl-phenyl)-3-(4-methylphenyl)sulfanyl-4-(4-phenylpiperazin-1-yl)pyrrole-2,5-dione Openeye Name: 1-(3-chloro-4-fluoro-phenyl)-3-(4-phenylpiperazin-1-yl)-4-(p-tolylsulfanyl)pyrrole-2,5-dione CAS Name: 1-(3-chloro-4-fluorophenyl)-3-[(4-methylphenyl)thio]-4-(4-phenyl-1-piperazinyl)pyrrole-2,5-dione IUPAC Name: 1-(3-chloro-4-fluorophenyl)-3-(4-methylphenyl)sulfanyl-4-(4-phenylpiperazin-1-yl)pyrrole-2,5-dione Traditional Name: 1-(3-chloro-4-fluoro-phenyl)-3-(4-phenylpiperazino)-4-(p-tolylthio)-3-pyrroline-2,5-quinone Formula: C27H23ClFN3O2S MolecularWeight: 508.006823

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H23ClFN3O2S/c1-18-7-10-21(11-8-18)35-25-24(31-15-13-30(14-16-31)19-5-3-2-4-6-19)26(33)32(27(25)34)20-9-12-23(29)22(28)17-20/h2-12,17H,13-16H2,1H3