1-(4-fluorophenyl)-5-[4-(2-oxidanyl-3-phenylsulfanyl-propyl)piperazin-1-yl]pentane-1,2-dione

Systemtic Name: 1-(4-fluorophenyl)-5-[4-(2-oxidanyl-3-phenylsulfanyl-propyl)piperazin-1-yl]pentane-1,2-dione Openeye Name: 1-(4-fluorophenyl)-5-[4-(2-hydroxy-3-phenylsulfanyl-propyl)piperazin-1-yl]pentane-1,2-dione CAS Name: 1-(4-fluorophenyl)-5-[4-[2-hydroxy-3-(phenylthio)propyl]-1-piperazinyl]pentane-1,2-dione IUPAC Name: 1-(4-fluorophenyl)-5-[4-(2-hydroxy-3-phenylsulfanylpropyl)piperazin-1-yl]pentane-1,2-dione Traditional Name: 1-(4-fluorophenyl)-5-[4-[2-hydroxy-3-(phenylthio)propyl]piperazino]pentane-1,2-dione Formula: C24H29FN2O3S MolecularWeight: 444.562063

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCCC(=O)C(=O)C2=CC=C(C=C2)F)CC(CSC3=CC=CC=C3)O

Isomeric SMILES

C1CN(CCN1CCCC(=O)C(=O)C2=CC=C(C=C2)F)CC(CSC3=CC=CC=C3)O

InChI

InChI=1S/C24H29FN2O3S/c25-20-10-8-19(9-11-20)24(30)23(29)7-4-12-26-13-15-27(16-14-26)17-21(28)18-31-22-5-2-1-3-6-22/h1-3,5-6,8-11,21,28H,4,7,12-18H2