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

Systemtic Name: 1-(3-chloranyl-4-fluoranyl-phenyl)-3-(4-ethylpiperazin-1-yl)-4-(4-methylphenyl)sulfanyl-pyrrole-2,5-dione Openeye Name: 1-(3-chloro-4-fluoro-phenyl)-3-(4-ethylpiperazin-1-yl)-4-(p-tolylsulfanyl)pyrrole-2,5-dione CAS Name: 1-(3-chloro-4-fluorophenyl)-3-(4-ethyl-1-piperazinyl)-4-[(4-methylphenyl)thio]pyrrole-2,5-dione IUPAC Name: 1-(3-chloro-4-fluorophenyl)-3-(4-ethylpiperazin-1-yl)-4-(4-methylphenyl)sulfanylpyrrole-2,5-dione Traditional Name: 1-(3-chloro-4-fluoro-phenyl)-3-(4-ethylpiperazino)-4-(p-tolylthio)-3-pyrroline-2,5-quinone Formula: C23H23ClFN3O2S MolecularWeight: 459.964023

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C2=C(C(=O)N(C2=O)C3=CC(=C(C=C3)F)Cl)SC4=CC=C(C=C4)C

Isomeric SMILES

CCN1CCN(CC1)C2=C(C(=O)N(C2=O)C3=CC(=C(C=C3)F)Cl)SC4=CC=C(C=C4)C

InChI

InChI=1S/C23H23ClFN3O2S/c1-3-26-10-12-27(13-11-26)20-21(31-17-7-4-15(2)5-8-17)23(30)28(22(20)29)16-6-9-19(25)18(24)14-16/h4-9,14H,3,10-13H2,1-2H3