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

Systemtic Name: 3-[3-(3-tert-butylphenyl)-1,2,4-triazol-4-yl]phenol Openeye Name: 3-[3-(3-tert-butylphenyl)-1,2,4-triazol-4-yl]phenol CAS Name: 3-[3-(3-tert-butylphenyl)-1,2,4-triazol-4-yl]phenol IUPAC Name: 3-[3-(3-tert-butylphenyl)-1,2,4-triazol-4-yl]phenol Traditional Name: 3-[3-(3-tert-butylphenyl)-1,2,4-triazol-4-yl]phenol Formula: C18H19N3O MolecularWeight: 293.36296

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=CC(=C1)C2=NN=CN2C3=CC(=CC=C3)O

Isomeric SMILES

CC(C)(C)C1=CC=CC(=C1)C2=NN=CN2C3=CC(=CC=C3)O

InChI

InChI=1S/C18H19N3O/c1-18(2,3)14-7-4-6-13(10-14)17-20-19-12-21(17)15-8-5-9-16(22)11-15/h4-12,22H,1-3H3