(3E,5E)-15,15,15-tris(fluoranyl)-2-[2-(2H-1,2,3,4-tetrazol-5-yl)ethylsulfanyl]-1-[3-(1,2,3,4-tetrazol-1-yl)phenyl]pentadeca-3,5-dien-1-ol

Systemtic Name: (3E,5E)-15,15,15-tris(fluoranyl)-2-[2-(2H-1,2,3,4-tetrazol-5-yl)ethylsulfanyl]-1-[3-(1,2,3,4-tetrazol-1-yl)phenyl]pentadeca-3,5-dien-1-ol Openeye Name: (3E,5E)-15,15,15-trifluoro-2-[2-(2H-tetrazol-5-yl)ethylsulfanyl]-1-[3-(tetrazol-1-yl)phenyl]pentadeca-3,5-dien-1-ol CAS Name: (3E,5E)-15,15,15-trifluoro-2-[2-(2H-tetrazol-5-yl)ethylthio]-1-[3-(1-tetrazolyl)phenyl]-1-pentadeca-3,5-dienol IUPAC Name: (3E,5E)-15,15,15-trifluoro-2-[2-(2H-tetrazol-5-yl)ethylsulfanyl]-1-[3-(tetrazol-1-yl)phenyl]pentadeca-3,5-dien-1-ol Traditional Name: (3E,5E)-15,15,15-trifluoro-2-[2-(2H-tetrazol-5-yl)ethylthio]-1-[3-(tetrazol-1-yl)phenyl]pentadeca-3,5-dien-1-ol Formula: C25H33F3N8OS MolecularWeight: 550.64273

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)N2C=NN=N2)C(C(C=CC=CCCCCCCCCC(F)(F)F)SCCC3=NNN=N3)O

Isomeric SMILES

C1=CC(=CC(=C1)N2C=NN=N2)C(C(/C=C/C=C/CCCCCCCCC(F)(F)F)SCCC3=NNN=N3)O

InChI

InChI=1S/C25H33F3N8OS/c26-25(27,28)16-10-8-6-4-2-1-3-5-7-9-14-22(38-17-15-23-30-33-34-31-23)24(37)20-12-11-13-21(18-20)36-19-29-32-35-36/h5,7,9,11-14,18-19,22,24,37H,1-4,6,8,10,15-17H2,(H,30,31,33,34)/b7-5+,14-9+