5-[1-[4-[(3,5-dibutyl-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-[(3,5-dibutyl-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-[(3,5-dibutyl-1,2,4-triazol-1-yl)methyl]phenyl]-3,5-difluoro-pyrrol-2-yl]-2H-tetrazole CAS Name: 5-[1-[4-[(3,5-dibutyl-1,2,4-triazol-1-yl)methyl]phenyl]-3,5-difluoro-2-pyrrolyl]-2H-tetrazole IUPAC Name: 5-[1-[4-[(3,5-dibutyl-1,2,4-triazol-1-yl)methyl]phenyl]-3,5-difluoropyrrol-2-yl]-2H-tetrazole Traditional Name: 5-[1-[4-[(3,5-dibutyl-1,2,4-triazol-1-yl)methyl]phenyl]-3,5-difluoro-pyrrol-2-yl]-2H-tetrazole Formula: C22H26F2N8 MolecularWeight: 440.492246

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NN(C(=N1)CCCC)CC2=CC=C(C=C2)N3C(=CC(=C3C4=NNN=N4)F)F

Isomeric SMILES

CCCCC1=NN(C(=N1)CCCC)CC2=CC=C(C=C2)N3C(=CC(=C3C4=NNN=N4)F)F

InChI

InChI=1S/C22H26F2N8/c1-3-5-7-19-25-20(8-6-4-2)31(28-19)14-15-9-11-16(12-10-15)32-18(24)13-17(23)21(32)22-26-29-30-27-22/h9-13H,3-8,14H2,1-2H3,(H,26,27,29,30)