1-(4-chlorophenyl)-4,4-dimethyl-3-(1,2,4-triazol-1-ylmethyl)pentan-3-ol

Systemtic Name: 1-(4-chlorophenyl)-4,4-dimethyl-3-(1,2,4-triazol-1-ylmethyl)pentan-3-ol Openeye Name: 1-(4-chlorophenyl)-4,4-dimethyl-3-(1,2,4-triazol-1-ylmethyl)pentan-3-ol CAS Name: 1-(4-chlorophenyl)-4,4-dimethyl-3-(1,2,4-triazol-1-ylmethyl)-3-pentanol IUPAC Name: 1-(4-chlorophenyl)-4,4-dimethyl-3-(1,2,4-triazol-1-ylmethyl)pentan-3-ol Traditional Name: 1-(4-chlorophenyl)-4,4-dimethyl-3-(1,2,4-triazol-1-ylmethyl)pentan-3-ol Formula: C32H44Cl2N6O2 MolecularWeight: 615.63676

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(CCC1=CC=C(C=C1)Cl)(CN2C=NC=N2)O.CC(C)(C)C(CCC1=CC=C(C=C1)Cl)(CN2C=NC=N2)O

Isomeric SMILES

CC(C)(C)C(CCC1=CC=C(C=C1)Cl)(CN2C=NC=N2)O.CC(C)(C)C(CCC1=CC=C(C=C1)Cl)(CN2C=NC=N2)O

InChI

InChI=1S/2C16H22ClN3O/c2*1-15(2,3)16(21,10-20-12-18-11-19-20)9-8-13-4-6-14(17)7-5-13/h2*4-7,11-12,21H,8-10H2,1-3H3