4-chloranyl-3,3-dimethyl-1-(4-phenylphenoxy)-1-(1,2,4-triazol-1-yl)butan-2-ol

Systemtic Name: 4-chloranyl-3,3-dimethyl-1-(4-phenylphenoxy)-1-(1,2,4-triazol-1-yl)butan-2-ol Openeye Name: 4-chloro-3,3-dimethyl-1-(4-phenylphenoxy)-1-(1,2,4-triazol-1-yl)butan-2-ol CAS Name: 4-chloro-3,3-dimethyl-1-(4-phenylphenoxy)-1-(1,2,4-triazol-1-yl)-2-butanol IUPAC Name: 4-chloro-3,3-dimethyl-1-(4-phenylphenoxy)-1-(1,2,4-triazol-1-yl)butan-2-ol Traditional Name: 4-chloro-3,3-dimethyl-1-(4-phenylphenoxy)-1-(1,2,4-triazol-1-yl)butan-2-ol Formula: C20H22ClN3O2 MolecularWeight: 371.86058

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CCl)C(C(N1C=NC=N1)OC2=CC=C(C=C2)C3=CC=CC=C3)O

Isomeric SMILES

CC(C)(CCl)C(C(N1C=NC=N1)OC2=CC=C(C=C2)C3=CC=CC=C3)O

InChI

InChI=1S/C20H22ClN3O2/c1-20(2,12-21)18(25)19(24-14-22-13-23-24)26-17-10-8-16(9-11-17)15-6-4-3-5-7-15/h3-11,13-14,18-19,25H,12H2,1-2H3