3-[3-(4-tert-butylphenyl)-5-(2-dimethylaminoethyl)-1,2,4-triazol-4-yl]phenol

Systemtic Name: 3-[3-(4-tert-butylphenyl)-5-(2-dimethylaminoethyl)-1,2,4-triazol-4-yl]phenol Openeye Name: 3-[3-(4-tert-butylphenyl)-5-(2-dimethylaminoethyl)-1,2,4-triazol-4-yl]phenol CAS Name: 3-[3-(4-tert-butylphenyl)-5-(2-dimethylaminoethyl)-1,2,4-triazol-4-yl]phenol IUPAC Name: 3-[3-(4-tert-butylphenyl)-5-(2-dimethylaminoethyl)-1,2,4-triazol-4-yl]phenol Traditional Name: 3-[3-(4-tert-butylphenyl)-5-(2-dimethylaminoethyl)-1,2,4-triazol-4-yl]phenol Formula: C22H28N4O MolecularWeight: 364.48392

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C2=NN=C(N2C3=CC(=CC=C3)O)CCN(C)C

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C2=NN=C(N2C3=CC(=CC=C3)O)CCN(C)C

InChI

InChI=1S/C22H28N4O/c1-22(2,3)17-11-9-16(10-12-17)21-24-23-20(13-14-25(4)5)26(21)18-7-6-8-19(27)15-18/h6-12,15,27H,13-14H2,1-5H3