3-(5,5-dimethyl-1,3-dioxan-2-yl)-1-(4-fluorophenyl)-1,2,4-triazole

Systemtic Name: 3-(5,5-dimethyl-1,3-dioxan-2-yl)-1-(4-fluorophenyl)-1,2,4-triazole Openeye Name: 3-(5,5-dimethyl-1,3-dioxan-2-yl)-1-(4-fluorophenyl)-1,2,4-triazole CAS Name: 3-(5,5-dimethyl-1,3-dioxan-2-yl)-1-(4-fluorophenyl)-1,2,4-triazole IUPAC Name: 3-(5,5-dimethyl-1,3-dioxan-2-yl)-1-(4-fluorophenyl)-1,2,4-triazole Traditional Name: 3-(5,5-dimethyl-1,3-dioxan-2-yl)-1-(4-fluorophenyl)-1,2,4-triazole Formula: C14H16FN3O2 MolecularWeight: 277.294143

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(COC(OC1)C2=NN(C=N2)C3=CC=C(C=C3)F)C

Isomeric SMILES

CC1(COC(OC1)C2=NN(C=N2)C3=CC=C(C=C3)F)C

InChI

InChI=1S/C14H16FN3O2/c1-14(2)7-19-13(20-8-14)12-16-9-18(17-12)11-5-3-10(15)4-6-11/h3-6,9,13H,7-8H2,1-2H3