5-[1-[4-[(3,5-dibutyl-1,2,4-triazol-1-yl)methyl]phenyl]-3,5-bis(trifluoromethyl)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(trifluoromethyl)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-bis(trifluoromethyl)pyrrol-2-yl]-2H-tetrazole CAS Name: 5-[1-[4-[(3,5-dibutyl-1,2,4-triazol-1-yl)methyl]phenyl]-3,5-bis(trifluoromethyl)-2-pyrrolyl]-2H-tetrazole IUPAC Name: 5-[1-[4-[(3,5-dibutyl-1,2,4-triazol-1-yl)methyl]phenyl]-3,5-bis(trifluoromethyl)pyrrol-2-yl]-2H-tetrazole Traditional Name: 5-[1-[4-[(3,5-dibutyl-1,2,4-triazol-1-yl)methyl]phenyl]-3,5-bis(trifluoromethyl)pyrrol-2-yl]-2H-tetrazole Formula: C24H26F6N8 MolecularWeight: 540.507259

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H26F6N8/c1-3-5-7-19-31-20(8-6-4-2)37(34-19)14-15-9-11-16(12-10-15)38-18(24(28,29)30)13-17(23(25,26)27)21(38)22-32-35-36-33-22/h9-13H,3-8,14H2,1-2H3,(H,32,33,35,36)