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

Systemtic Name: 1-(4-bromophenyl)-4,4-dimethyl-3-(1,2,4-triazol-1-ylmethyl)pentan-3-ol Openeye Name: 1-(4-bromophenyl)-4,4-dimethyl-3-(1,2,4-triazol-1-ylmethyl)pentan-3-ol CAS Name: 1-(4-bromophenyl)-4,4-dimethyl-3-(1,2,4-triazol-1-ylmethyl)-3-pentanol IUPAC Name: 1-(4-bromophenyl)-4,4-dimethyl-3-(1,2,4-triazol-1-ylmethyl)pentan-3-ol Traditional Name: 1-(4-bromophenyl)-4,4-dimethyl-3-(1,2,4-triazol-1-ylmethyl)pentan-3-ol Formula: C16H22BrN3O MolecularWeight: 352.26938

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(CCC1=CC=C(C=C1)Br)(CN2C=NC=N2)O

Isomeric SMILES

CC(C)(C)C(CCC1=CC=C(C=C1)Br)(CN2C=NC=N2)O

InChI

InChI=1S/C16H22BrN3O/c1-15(2,3)16(21,10-20-12-18-11-19-20)9-8-13-4-6-14(17)7-5-13/h4-7,11-12,21H,8-10H2,1-3H3