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

Systemtic Name: 1-(3-chloranyl-4-fluoranyl-phenyl)-3-(4-methylphenyl)sulfanyl-4-piperidin-1-yl-pyrrole-2,5-dione Openeye Name: 1-(3-chloro-4-fluoro-phenyl)-3-(1-piperidyl)-4-(p-tolylsulfanyl)pyrrole-2,5-dione CAS Name: 1-(3-chloro-4-fluorophenyl)-3-[(4-methylphenyl)thio]-4-(1-piperidinyl)pyrrole-2,5-dione IUPAC Name: 1-(3-chloro-4-fluorophenyl)-3-(4-methylphenyl)sulfanyl-4-piperidin-1-ylpyrrole-2,5-dione Traditional Name: 1-(3-chloro-4-fluoro-phenyl)-3-piperidino-4-(p-tolylthio)-3-pyrroline-2,5-quinone Formula: C22H20ClFN2O2S MolecularWeight: 430.922803

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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)N4CCCCC4

Isomeric SMILES

CC1=CC=C(C=C1)SC2=C(C(=O)N(C2=O)C3=CC(=C(C=C3)F)Cl)N4CCCCC4

InChI

InChI=1S/C22H20ClFN2O2S/c1-14-5-8-16(9-6-14)29-20-19(25-11-3-2-4-12-25)21(27)26(22(20)28)15-7-10-18(24)17(23)13-15/h5-10,13H,2-4,11-12H2,1H3