N-[3-[5-[2-[3-[1,3-bis(oxidanylidene)isoindol-2-yl]phenyl]-2-oxidanylidene-ethyl]sulfanyl-4-(4-fluorophenyl)-1,2,4-triazol-3-yl]propyl]ethanamide

Systemtic Name: N-[3-[5-[2-[3-[1,3-bis(oxidanylidene)isoindol-2-yl]phenyl]-2-oxidanylidene-ethyl]sulfanyl-4-(4-fluorophenyl)-1,2,4-triazol-3-yl]propyl]ethanamide Openeye Name: N-[3-[5-[2-[3-(1,3-dioxoisoindolin-2-yl)phenyl]-2-oxo-ethyl]sulfanyl-4-(4-fluorophenyl)-1,2,4-triazol-3-yl]propyl]acetamide CAS Name: N-[3-[5-[[2-[3-(1,3-dioxo-2-isoindolyl)phenyl]-2-oxoethyl]thio]-4-(4-fluorophenyl)-1,2,4-triazol-3-yl]propyl]acetamide IUPAC Name: N-[3-[5-[2-[3-(1,3-dioxoisoindol-2-yl)phenyl]-2-oxoethyl]sulfanyl-4-(4-fluorophenyl)-1,2,4-triazol-3-yl]propyl]acetamide Traditional Name: N-[3-[4-(4-fluorophenyl)-5-[[2-keto-2-(3-phthalimidophenyl)ethyl]thio]-1,2,4-triazol-3-yl]propyl]acetamide Formula: C29H24FN5O4S MolecularWeight: 557.595363

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCCCC1=NN=C(N1C2=CC=C(C=C2)F)SCC(=O)C3=CC(=CC=C3)N4C(=O)C5=CC=CC=C5C4=O

Isomeric SMILES

CC(=O)NCCCC1=NN=C(N1C2=CC=C(C=C2)F)SCC(=O)C3=CC(=CC=C3)N4C(=O)C5=CC=CC=C5C4=O

InChI

InChI=1S/C29H24FN5O4S/c1-18(36)31-15-5-10-26-32-33-29(34(26)21-13-11-20(30)12-14-21)40-17-25(37)19-6-4-7-22(16-19)35-27(38)23-8-2-3-9-24(23)28(35)39/h2-4,6-9,11-14,16H,5,10,15,17H2,1H3,(H,31,36)