(4-butoxyphenyl)-[5-(4-tert-butylphenyl)-3-ethoxy-1,2,4-triazol-1-yl]methanone

Systemtic Name: (4-butoxyphenyl)-[5-(4-tert-butylphenyl)-3-ethoxy-1,2,4-triazol-1-yl]methanone Openeye Name: (4-butoxyphenyl)-[5-(4-tert-butylphenyl)-3-ethoxy-1,2,4-triazol-1-yl]methanone CAS Name: (4-butoxyphenyl)-[5-(4-tert-butylphenyl)-3-ethoxy-1,2,4-triazol-1-yl]methanone IUPAC Name: (4-butoxyphenyl)-[5-(4-tert-butylphenyl)-3-ethoxy-1,2,4-triazol-1-yl]methanone Traditional Name: (4-butoxyphenyl)-[5-(4-tert-butylphenyl)-3-ethoxy-1,2,4-triazol-1-yl]methanone Formula: C25H31N3O3 MolecularWeight: 421.53194

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C(=O)N2C(=NC(=N2)OCC)C3=CC=C(C=C3)C(C)(C)C

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C(=O)N2C(=NC(=N2)OCC)C3=CC=C(C=C3)C(C)(C)C

InChI

InChI=1S/C25H31N3O3/c1-6-8-17-31-21-15-11-19(12-16-21)23(29)28-22(26-24(27-28)30-7-2)18-9-13-20(14-10-18)25(3,4)5/h9-16H,6-8,17H2,1-5H3