5-[3,5-bis(trifluoromethyl)phenyl]-2-prop-2-ynyl-1,2,3,4-tetrazole

Systemtic Name: 5-[3,5-bis(trifluoromethyl)phenyl]-2-prop-2-ynyl-1,2,3,4-tetrazole Openeye Name: 5-[3,5-bis(trifluoromethyl)phenyl]-2-prop-2-ynyl-tetrazole CAS Name: 5-[3,5-bis(trifluoromethyl)phenyl]-2-prop-2-ynyltetrazole IUPAC Name: 5-[3,5-bis(trifluoromethyl)phenyl]-2-prop-2-ynyltetrazole Traditional Name: 5-[3,5-bis(trifluoromethyl)phenyl]-2-propargyl-tetrazole Formula: C12H6F6N4 MolecularWeight: 320.193259

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C#CCN1N=C(N=N1)C2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F

Isomeric SMILES

C#CCN1N=C(N=N1)C2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F

InChI

InChI=1S/C12H6F6N4/c1-2-3-22-20-10(19-21-22)7-4-8(11(13,14)15)6-9(5-7)12(16,17)18/h1,4-6H,3H2