5-butyl-2-[2,3,4,5,6-pentakis(fluoranyl)phenyl]-4-[[4-[2-(2H-1,2,3,4-tetrazol-5-yl)phenyl]phenyl]methyl]-1,2,4-triazol-3-one

Systemtic Name: 5-butyl-2-[2,3,4,5,6-pentakis(fluoranyl)phenyl]-4-[[4-[2-(2H-1,2,3,4-tetrazol-5-yl)phenyl]phenyl]methyl]-1,2,4-triazol-3-one Openeye Name: 5-butyl-2-(2,3,4,5,6-pentafluorophenyl)-4-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-1,2,4-triazol-3-one CAS Name: 5-butyl-2-(2,3,4,5,6-pentafluorophenyl)-4-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-1,2,4-triazol-3-one IUPAC Name: 5-butyl-2-(2,3,4,5,6-pentafluorophenyl)-4-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-1,2,4-triazol-3-one Traditional Name: 5-butyl-2-(2,3,4,5,6-pentafluorophenyl)-4-[4-[2-(2H-tetrazol-5-yl)phenyl]benzyl]-1,2,4-triazol-3-one Formula: C26H20F5N7O MolecularWeight: 541.475316

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NN(C(=O)N1CC2=CC=C(C=C2)C3=CC=CC=C3C4=NNN=N4)C5=C(C(=C(C(=C5F)F)F)F)F

Isomeric SMILES

CCCCC1=NN(C(=O)N1CC2=CC=C(C=C2)C3=CC=CC=C3C4=NNN=N4)C5=C(C(=C(C(=C5F)F)F)F)F

InChI

InChI=1S/C26H20F5N7O/c1-2-3-8-18-34-38(24-22(30)20(28)19(27)21(29)23(24)31)26(39)37(18)13-14-9-11-15(12-10-14)16-6-4-5-7-17(16)25-32-35-36-33-25/h4-7,9-12H,2-3,8,13H2,1H3,(H,32,33,35,36)