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

Systemtic Name: 1-(3-chloranyl-4-fluoranyl-phenyl)-3-phenylsulfanyl-4-piperidin-1-yl-pyrrole-2,5-dione Openeye Name: 1-(3-chloro-4-fluoro-phenyl)-3-phenylsulfanyl-4-(1-piperidyl)pyrrole-2,5-dione CAS Name: 1-(3-chloro-4-fluorophenyl)-3-(phenylthio)-4-(1-piperidinyl)pyrrole-2,5-dione IUPAC Name: 1-(3-chloro-4-fluorophenyl)-3-phenylsulfanyl-4-piperidin-1-ylpyrrole-2,5-dione Traditional Name: 1-(3-chloro-4-fluoro-phenyl)-3-(phenylthio)-4-piperidino-3-pyrroline-2,5-quinone Formula: C21H18ClFN2O2S MolecularWeight: 416.896223

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=C(C(=O)N(C2=O)C3=CC(=C(C=C3)F)Cl)SC4=CC=CC=C4

Isomeric SMILES

C1CCN(CC1)C2=C(C(=O)N(C2=O)C3=CC(=C(C=C3)F)Cl)SC4=CC=CC=C4

InChI

InChI=1S/C21H18ClFN2O2S/c22-16-13-14(9-10-17(16)23)25-20(26)18(24-11-5-2-6-12-24)19(21(25)27)28-15-7-3-1-4-8-15/h1,3-4,7-10,13H,2,5-6,11-12H2