2-(4-chloranylphenoxy)-3,4,4-trimethyl-1-(1,2,4-triazol-1-yl)pentan-3-ol

Systemtic Name: 2-(4-chloranylphenoxy)-3,4,4-trimethyl-1-(1,2,4-triazol-1-yl)pentan-3-ol Openeye Name: 2-(4-chlorophenoxy)-3,4,4-trimethyl-1-(1,2,4-triazol-1-yl)pentan-3-ol CAS Name: 2-(4-chlorophenoxy)-3,4,4-trimethyl-1-(1,2,4-triazol-1-yl)-3-pentanol IUPAC Name: 2-(4-chlorophenoxy)-3,4,4-trimethyl-1-(1,2,4-triazol-1-yl)pentan-3-ol Traditional Name: 2-(4-chlorophenoxy)-3,4,4-trimethyl-1-(1,2,4-triazol-1-yl)pentan-3-ol Formula: C16H22ClN3O2 MolecularWeight: 323.81778

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(C)(C(CN1C=NC=N1)OC2=CC=C(C=C2)Cl)O

Isomeric SMILES

CC(C)(C)C(C)(C(CN1C=NC=N1)OC2=CC=C(C=C2)Cl)O

InChI

InChI=1S/C16H22ClN3O2/c1-15(2,3)16(4,21)14(9-20-11-18-10-19-20)22-13-7-5-12(17)6-8-13/h5-8,10-11,14,21H,9H2,1-4H3