N-[[4-[3-fluoranyl-4-[4-[2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanoyl]piperazin-1-yl]phenyl]-5-oxidanylidene-1,2-oxazol-2-yl]methyl]ethanamide

Systemtic Name: N-[[4-[3-fluoranyl-4-[4-[2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanoyl]piperazin-1-yl]phenyl]-5-oxidanylidene-1,2-oxazol-2-yl]methyl]ethanamide Openeye Name: N-[[4-[3-fluoro-4-[4-[2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]piperazin-1-yl]phenyl]-5-oxo-isoxazol-2-yl]methyl]acetamide CAS Name: N-[[4-[3-fluoro-4-[4-[1-oxo-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)thio]ethyl]-1-piperazinyl]phenyl]-5-oxo-2-isoxazolyl]methyl]acetamide IUPAC Name: N-[[4-[3-fluoro-4-[4-[2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]piperazin-1-yl]phenyl]-5-oxo-1,2-oxazol-2-yl]methyl]acetamide Traditional Name: N-[[4-[3-fluoro-4-[4-[2-[(5-phenyl-1H-1,2,4-triazol-3-yl)thio]acetyl]piperazino]phenyl]-5-keto-3-isoxazolin-2-yl]methyl]acetamide Formula: C26H26FN7O4S MolecularWeight: 551.592543

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCN1C=C(C(=O)O1)C2=CC(=C(C=C2)N3CCN(CC3)C(=O)CSC4=NNC(=N4)C5=CC=CC=C5)F

Isomeric SMILES

CC(=O)NCN1C=C(C(=O)O1)C2=CC(=C(C=C2)N3CCN(CC3)C(=O)CSC4=NNC(=N4)C5=CC=CC=C5)F

InChI

InChI=1S/C26H26FN7O4S/c1-17(35)28-16-34-14-20(25(37)38-34)19-7-8-22(21(27)13-19)32-9-11-33(12-10-32)23(36)15-39-26-29-24(30-31-26)18-5-3-2-4-6-18/h2-8,13-14H,9-12,15-16H2,1H3,(H,28,35)(H,29,30,31)