1-[2,4-bis(2-methylbutan-2-yl)phenoxy]-3-(1,2,4-triazol-4-yl)propan-2-ol

Systemtic Name: 1-[2,4-bis(2-methylbutan-2-yl)phenoxy]-3-(1,2,4-triazol-4-yl)propan-2-ol Openeye Name: 1-[2,4-bis(1,1-dimethylpropyl)phenoxy]-3-(1,2,4-triazol-4-yl)propan-2-ol CAS Name: 1-[2,4-bis(2-methylbutan-2-yl)phenoxy]-3-(1,2,4-triazol-4-yl)-2-propanol IUPAC Name: 1-[2,4-bis(2-methylbutan-2-yl)phenoxy]-3-(1,2,4-triazol-4-yl)propan-2-ol Traditional Name: 1-(2,4-ditert-amylphenoxy)-3-(1,2,4-triazol-4-yl)propan-2-ol Formula: C21H33N3O2 MolecularWeight: 359.50562

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)C1=CC(=C(C=C1)OCC(CN2C=NN=C2)O)C(C)(C)CC

Isomeric SMILES

CCC(C)(C)C1=CC(=C(C=C1)OCC(CN2C=NN=C2)O)C(C)(C)CC

InChI

InChI=1S/C21H33N3O2/c1-7-20(3,4)16-9-10-19(18(11-16)21(5,6)8-2)26-13-17(25)12-24-14-22-23-15-24/h9-11,14-15,17,25H,7-8,12-13H2,1-6H3