1-(4-chloranylphenoxy)-3,3-dimethyl-4-phenoxy-1-(1,2,4-triazol-1-yl)butan-2-ol

Systemtic Name: 1-(4-chloranylphenoxy)-3,3-dimethyl-4-phenoxy-1-(1,2,4-triazol-1-yl)butan-2-ol Openeye Name: 1-(4-chlorophenoxy)-3,3-dimethyl-4-phenoxy-1-(1,2,4-triazol-1-yl)butan-2-ol CAS Name: 1-(4-chlorophenoxy)-3,3-dimethyl-4-phenoxy-1-(1,2,4-triazol-1-yl)-2-butanol IUPAC Name: 1-(4-chlorophenoxy)-3,3-dimethyl-4-phenoxy-1-(1,2,4-triazol-1-yl)butan-2-ol Traditional Name: 1-(4-chlorophenoxy)-3,3-dimethyl-4-phenoxy-1-(1,2,4-triazol-1-yl)butan-2-ol Formula: C20H22ClN3O3 MolecularWeight: 387.85998

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(COC1=CC=CC=C1)C(C(N2C=NC=N2)OC3=CC=C(C=C3)Cl)O

Isomeric SMILES

CC(C)(COC1=CC=CC=C1)C(C(N2C=NC=N2)OC3=CC=C(C=C3)Cl)O

InChI

InChI=1S/C20H22ClN3O3/c1-20(2,12-26-16-6-4-3-5-7-16)18(25)19(24-14-22-13-23-24)27-17-10-8-15(21)9-11-17/h3-11,13-14,18-19,25H,12H2,1-2H3