5-[1-[4-[[3-[1,1-bis(fluoranyl)butyl]-5-butyl-1,2,4-triazol-1-yl]methyl]phenyl]-5-pentyl-pyrrol-2-yl]-2H-1,2,3,4-tetrazole

Systemtic Name: 5-[1-[4-[[3-[1,1-bis(fluoranyl)butyl]-5-butyl-1,2,4-triazol-1-yl]methyl]phenyl]-5-pentyl-pyrrol-2-yl]-2H-1,2,3,4-tetrazole Openeye Name: 5-[1-[4-[[5-butyl-3-(1,1-difluorobutyl)-1,2,4-triazol-1-yl]methyl]phenyl]-5-pentyl-pyrrol-2-yl]-2H-tetrazole CAS Name: 5-[1-[4-[[5-butyl-3-(1,1-difluorobutyl)-1,2,4-triazol-1-yl]methyl]phenyl]-5-pentyl-2-pyrrolyl]-2H-tetrazole IUPAC Name: 5-[1-[4-[[5-butyl-3-(1,1-difluorobutyl)-1,2,4-triazol-1-yl]methyl]phenyl]-5-pentylpyrrol-2-yl]-2H-tetrazole Traditional Name: 5-[5-amyl-1-[4-[[5-butyl-3-(1,1-difluorobutyl)-1,2,4-triazol-1-yl]methyl]phenyl]pyrrol-2-yl]-2H-tetrazole Formula: C27H36F2N8 MolecularWeight: 510.625146

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC=C(N1C2=CC=C(C=C2)CN3C(=NC(=N3)C(CCC)(F)F)CCCC)C4=NNN=N4

Isomeric SMILES

CCCCCC1=CC=C(N1C2=CC=C(C=C2)CN3C(=NC(=N3)C(CCC)(F)F)CCCC)C4=NNN=N4

InChI

InChI=1S/C27H36F2N8/c1-4-7-9-10-21-16-17-23(25-31-34-35-32-25)37(21)22-14-12-20(13-15-22)19-36-24(11-8-5-2)30-26(33-36)27(28,29)18-6-3/h12-17H,4-11,18-19H2,1-3H3,(H,31,32,34,35)