3-(1-adamantyl)-4-methyl-5-[4-(trifluoromethyloxy)phenyl]-1,2,4-triazole

Systemtic Name: 3-(1-adamantyl)-4-methyl-5-[4-(trifluoromethyloxy)phenyl]-1,2,4-triazole Openeye Name: 3-(1-adamantyl)-4-methyl-5-[4-(trifluoromethoxy)phenyl]-1,2,4-triazole CAS Name: 3-(1-adamantyl)-4-methyl-5-[4-(trifluoromethoxy)phenyl]-1,2,4-triazole IUPAC Name: 3-(1-adamantyl)-4-methyl-5-[4-(trifluoromethoxy)phenyl]-1,2,4-triazole Traditional Name: 3-(1-adamantyl)-4-methyl-5-[4-(trifluoromethoxy)phenyl]-1,2,4-triazole Formula: C20H22F3N3O MolecularWeight: 377.40339

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1C23CC4CC(C2)CC(C4)C3)C5=CC=C(C=C5)OC(F)(F)F

Isomeric SMILES

CN1C(=NN=C1C23CC4CC(C2)CC(C4)C3)C5=CC=C(C=C5)OC(F)(F)F

InChI

InChI=1S/C20H22F3N3O/c1-26-17(15-2-4-16(5-3-15)27-20(21,22)23)24-25-18(26)19-9-12-6-13(10-19)8-14(7-12)11-19/h2-5,12-14H,6-11H2,1H3