5-[1-[4-[[3-[1,1-bis(fluoranyl)butyl]-5-butyl-1,2,4-triazol-1-yl]methyl]phenyl]-3,5-bis(bromanyl)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]-3,5-bis(bromanyl)pyrrol-2-yl]-2H-1,2,3,4-tetrazole Openeye Name: 5-[3,5-dibromo-1-[4-[[5-butyl-3-(1,1-difluorobutyl)-1,2,4-triazol-1-yl]methyl]phenyl]pyrrol-2-yl]-2H-tetrazole CAS Name: 5-[3,5-dibromo-1-[4-[[5-butyl-3-(1,1-difluorobutyl)-1,2,4-triazol-1-yl]methyl]phenyl]-2-pyrrolyl]-2H-tetrazole IUPAC Name: 5-[3,5-dibromo-1-[4-[[5-butyl-3-(1,1-difluorobutyl)-1,2,4-triazol-1-yl]methyl]phenyl]pyrrol-2-yl]-2H-tetrazole Traditional Name: 5-[3,5-dibromo-1-[4-[[5-butyl-3-(1,1-difluorobutyl)-1,2,4-triazol-1-yl]methyl]phenyl]pyrrol-2-yl]-2H-tetrazole Formula: C22H24Br2F2N8 MolecularWeight: 598.284366

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H24Br2F2N8/c1-3-5-6-18-27-21(22(25,26)11-4-2)30-33(18)13-14-7-9-15(10-8-14)34-17(24)12-16(23)19(34)20-28-31-32-29-20/h7-10,12H,3-6,11,13H2,1-2H3,(H,28,29,31,32)