5-[1-[4-[(5-butyl-3-phenethyl-1,2,4-triazol-1-yl)methyl]phenyl]-3-(trifluoromethyl)pyrrol-2-yl]-2H-1,2,3,4-tetrazole

Systemtic Name: 5-[1-[4-[(5-butyl-3-phenethyl-1,2,4-triazol-1-yl)methyl]phenyl]-3-(trifluoromethyl)pyrrol-2-yl]-2H-1,2,3,4-tetrazole Openeye Name: 5-[1-[4-[(5-butyl-3-phenethyl-1,2,4-triazol-1-yl)methyl]phenyl]-3-(trifluoromethyl)pyrrol-2-yl]-2H-tetrazole CAS Name: 5-[1-[4-[(5-butyl-3-phenethyl-1,2,4-triazol-1-yl)methyl]phenyl]-3-(trifluoromethyl)-2-pyrrolyl]-2H-tetrazole IUPAC Name: 5-[1-[4-[(5-butyl-3-phenethyl-1,2,4-triazol-1-yl)methyl]phenyl]-3-(trifluoromethyl)pyrrol-2-yl]-2H-tetrazole Traditional Name: 5-[1-[4-[(5-butyl-3-phenethyl-1,2,4-triazol-1-yl)methyl]phenyl]-3-(trifluoromethyl)pyrrol-2-yl]-2H-tetrazole Formula: C27H27F3N8 MolecularWeight: 520.55209

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC(=NN1CC2=CC=C(C=C2)N3C=CC(=C3C4=NNN=N4)C(F)(F)F)CCC5=CC=CC=C5

Isomeric SMILES

CCCCC1=NC(=NN1CC2=CC=C(C=C2)N3C=CC(=C3C4=NNN=N4)C(F)(F)F)CCC5=CC=CC=C5

InChI

InChI=1S/C27H27F3N8/c1-2-3-9-24-31-23(15-12-19-7-5-4-6-8-19)34-38(24)18-20-10-13-21(14-11-20)37-17-16-22(27(28,29)30)25(37)26-32-35-36-33-26/h4-8,10-11,13-14,16-17H,2-3,9,12,15,18H2,1H3,(H,32,33,35,36)