3-(2-azanylethylsulfanyl)-1-(3-chloranyl-4-fluoranyl-phenyl)pyrrolidine-2,5-dione hydrochloride

Systemtic Name: 3-(2-azanylethylsulfanyl)-1-(3-chloranyl-4-fluoranyl-phenyl)pyrrolidine-2,5-dione hydrochloride Openeye Name: 3-(2-aminoethylsulfanyl)-1-(3-chloro-4-fluoro-phenyl)pyrrolidine-2,5-dione hydrochloride CAS Name: 3-(2-aminoethylthio)-1-(3-chloro-4-fluorophenyl)pyrrolidine-2,5-dione hydrochloride IUPAC Name: 3-(2-aminoethylsulfanyl)-1-(3-chloro-4-fluorophenyl)pyrrolidine-2,5-dione hydrochloride Traditional Name: 3-(2-aminoethylthio)-1-(3-chloro-4-fluoro-phenyl)pyrrolidine-2,5-quinone hydrochloride Formula: C12H13Cl2FN2O2S MolecularWeight: 339.213223

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(=O)N(C1=O)C2=CC(=C(C=C2)F)Cl)SCCN.Cl

Isomeric SMILES

C1C(C(=O)N(C1=O)C2=CC(=C(C=C2)F)Cl)SCCN.Cl

InChI

InChI=1S/C12H12ClFN2O2S.ClH/c13-8-5-7(1-2-9(8)14)16-11(17)6-10(12(16)18)19-4-3-15;/h1-2,5,10H,3-4,6,15H2;1H