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

Systemtic Name: 1-[4-[[3-[1,1-bis(fluoranyl)pentyl]-5-butyl-1,2,4-triazol-1-yl]methyl]phenyl]-5-(2H-1,2,3,4-tetrazol-5-yl)pyrrole-2-carbonitrile Openeye Name: 1-[4-[[5-butyl-3-(1,1-difluoropentyl)-1,2,4-triazol-1-yl]methyl]phenyl]-5-(2H-tetrazol-5-yl)pyrrole-2-carbonitrile CAS Name: 1-[4-[[5-butyl-3-(1,1-difluoropentyl)-1,2,4-triazol-1-yl]methyl]phenyl]-5-(2H-tetrazol-5-yl)-2-pyrrolecarbonitrile IUPAC Name: 1-[4-[[5-butyl-3-(1,1-difluoropentyl)-1,2,4-triazol-1-yl]methyl]phenyl]-5-(2H-tetrazol-5-yl)pyrrole-2-carbonitrile Traditional Name: 1-[4-[[5-butyl-3-(1,1-difluoropentyl)-1,2,4-triazol-1-yl]methyl]phenyl]-5-(2H-tetrazol-5-yl)pyrrole-2-carbonitrile Formula: C24H27F2N9 MolecularWeight: 479.528286

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC(=NN1CC2=CC=C(C=C2)N3C(=CC=C3C4=NNN=N4)C#N)C(CCCC)(F)F

Isomeric SMILES

CCCCC1=NC(=NN1CC2=CC=C(C=C2)N3C(=CC=C3C4=NNN=N4)C#N)C(CCCC)(F)F

InChI

InChI=1S/C24H27F2N9/c1-3-5-7-21-28-23(24(25,26)14-6-4-2)31-34(21)16-17-8-10-18(11-9-17)35-19(15-27)12-13-20(35)22-29-32-33-30-22/h8-13H,3-7,14,16H2,1-2H3,(H,29,30,32,33)