5-butyl-2-[[2,3,4,5,6-pentakis(fluoranyl)phenyl]methyl]-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]methyl]-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)methyl]-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)methyl]-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)methyl]-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-pentafluorobenzyl)-4-[4-[2-(2H-tetrazol-5-yl)phenyl]benzyl]-1,2,4-triazol-3-one Formula: C27H22F5N7O MolecularWeight: 555.501896

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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)CC5=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)CC5=C(C(=C(C(=C5F)F)F)F)F

InChI

InChI=1S/C27H22F5N7O/c1-2-3-8-20-35-39(14-19-21(28)23(30)25(32)24(31)22(19)29)27(40)38(20)13-15-9-11-16(12-10-15)17-6-4-5-7-18(17)26-33-36-37-34-26/h4-7,9-12H,2-3,8,13-14H2,1H3,(H,33,34,36,37)