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

Systemtic Name: 5-[1-[4-[[3,5-bis(2-methylpropyl)-1,2,4-triazol-1-yl]methyl]phenyl]-5-fluoranyl-pyrrol-2-yl]-2H-1,2,3,4-tetrazole Openeye Name: 5-[1-[4-[(3,5-diisobutyl-1,2,4-triazol-1-yl)methyl]phenyl]-5-fluoro-pyrrol-2-yl]-2H-tetrazole CAS Name: 5-[1-[4-[[3,5-bis(2-methylpropyl)-1,2,4-triazol-1-yl]methyl]phenyl]-5-fluoro-2-pyrrolyl]-2H-tetrazole IUPAC Name: 5-[1-[4-[[3,5-bis(2-methylpropyl)-1,2,4-triazol-1-yl]methyl]phenyl]-5-fluoropyrrol-2-yl]-2H-tetrazole Traditional Name: 5-[1-[4-[(3,5-diisobutyl-1,2,4-triazol-1-yl)methyl]phenyl]-5-fluoro-pyrrol-2-yl]-2H-tetrazole Formula: C22H27FN8 MolecularWeight: 422.501783

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=NN(C(=N1)CC(C)C)CC2=CC=C(C=C2)N3C(=CC=C3F)C4=NNN=N4

Isomeric SMILES

CC(C)CC1=NN(C(=N1)CC(C)C)CC2=CC=C(C=C2)N3C(=CC=C3F)C4=NNN=N4

InChI

InChI=1S/C22H27FN8/c1-14(2)11-20-24-21(12-15(3)4)30(27-20)13-16-5-7-17(8-6-16)31-18(9-10-19(31)23)22-25-28-29-26-22/h5-10,14-15H,11-13H2,1-4H3,(H,25,26,28,29)