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

Systemtic Name: 5-[1-[4-[(5-butyl-3-propan-2-yl-1,2,4-triazol-1-yl)methyl]phenyl]-3,5-bis(fluoranyl)pyrrol-2-yl]-2H-1,2,3,4-tetrazole Openeye Name: 5-[1-[4-[(5-butyl-3-isopropyl-1,2,4-triazol-1-yl)methyl]phenyl]-3,5-difluoro-pyrrol-2-yl]-2H-tetrazole CAS Name: 5-[1-[4-[(5-butyl-3-propan-2-yl-1,2,4-triazol-1-yl)methyl]phenyl]-3,5-difluoro-2-pyrrolyl]-2H-tetrazole IUPAC Name: 5-[1-[4-[(5-butyl-3-propan-2-yl-1,2,4-triazol-1-yl)methyl]phenyl]-3,5-difluoropyrrol-2-yl]-2H-tetrazole Traditional Name: 5-[1-[4-[(5-butyl-3-isopropyl-1,2,4-triazol-1-yl)methyl]phenyl]-3,5-difluoro-pyrrol-2-yl]-2H-tetrazole Formula: C21H24F2N8 MolecularWeight: 426.465666

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24F2N8/c1-4-5-6-18-24-20(13(2)3)27-30(18)12-14-7-9-15(10-8-14)31-17(23)11-16(22)19(31)21-25-28-29-26-21/h7-11,13H,4-6,12H2,1-3H3,(H,25,26,28,29)