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

Systemtic Name: 5-[1-[4-[[3-[1,1-bis(fluoranyl)pentyl]-5-butyl-1,2,4-triazol-1-yl]methyl]phenyl]pyrrol-3-yl]-2H-1,2,3,4-tetrazole Openeye Name: 5-[1-[4-[[5-butyl-3-(1,1-difluoropentyl)-1,2,4-triazol-1-yl]methyl]phenyl]pyrrol-3-yl]-2H-tetrazole CAS Name: 5-[1-[4-[[5-butyl-3-(1,1-difluoropentyl)-1,2,4-triazol-1-yl]methyl]phenyl]-3-pyrrolyl]-2H-tetrazole IUPAC Name: 5-[1-[4-[[5-butyl-3-(1,1-difluoropentyl)-1,2,4-triazol-1-yl]methyl]phenyl]pyrrol-3-yl]-2H-tetrazole Traditional Name: 5-[1-[4-[[5-butyl-3-(1,1-difluoropentyl)-1,2,4-triazol-1-yl]methyl]phenyl]pyrrol-3-yl]-2H-tetrazole Formula: C23H28F2N8 MolecularWeight: 454.518826

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC(=NN1CC2=CC=C(C=C2)N3C=CC(=C3)C4=NNN=N4)C(CCCC)(F)F

Isomeric SMILES

CCCCC1=NC(=NN1CC2=CC=C(C=C2)N3C=CC(=C3)C4=NNN=N4)C(CCCC)(F)F

InChI

InChI=1S/C23H28F2N8/c1-3-5-7-20-26-22(23(24,25)13-6-4-2)29-33(20)15-17-8-10-19(11-9-17)32-14-12-18(16-32)21-27-30-31-28-21/h8-12,14,16H,3-7,13,15H2,1-2H3,(H,27,28,30,31)