5-[1-[4-[[3-[1,1-bis(fluoranyl)butyl]-5-butyl-1,2,4-triazol-1-yl]methyl]phenyl]-3-fluoranyl-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]-3-fluoranyl-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]-3-fluoro-pyrrol-2-yl]-2H-tetrazole CAS Name: 5-[1-[4-[[5-butyl-3-(1,1-difluorobutyl)-1,2,4-triazol-1-yl]methyl]phenyl]-3-fluoro-2-pyrrolyl]-2H-tetrazole IUPAC Name: 5-[1-[4-[[5-butyl-3-(1,1-difluorobutyl)-1,2,4-triazol-1-yl]methyl]phenyl]-3-fluoropyrrol-2-yl]-2H-tetrazole Traditional Name: 5-[1-[4-[[5-butyl-3-(1,1-difluorobutyl)-1,2,4-triazol-1-yl]methyl]phenyl]-3-fluoro-pyrrol-2-yl]-2H-tetrazole Formula: C22H25F3N8 MolecularWeight: 458.48271

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC(=NN1CC2=CC=C(C=C2)N3C=CC(=C3C4=NNN=N4)F)C(CCC)(F)F

Isomeric SMILES

CCCCC1=NC(=NN1CC2=CC=C(C=C2)N3C=CC(=C3C4=NNN=N4)F)C(CCC)(F)F

InChI

InChI=1S/C22H25F3N8/c1-3-5-6-18-26-21(22(24,25)12-4-2)29-33(18)14-15-7-9-16(10-8-15)32-13-11-17(23)19(32)20-27-30-31-28-20/h7-11,13H,3-6,12,14H2,1-2H3,(H,27,28,30,31)