3-(4-tert-butylphenyl)-5-[2-(2-fluoranylphenoxy)ethylsulfanyl]-4-phenyl-1,2,4-triazole

Systemtic Name: 3-(4-tert-butylphenyl)-5-[2-(2-fluoranylphenoxy)ethylsulfanyl]-4-phenyl-1,2,4-triazole Openeye Name: 3-(4-tert-butylphenyl)-5-[2-(2-fluorophenoxy)ethylsulfanyl]-4-phenyl-1,2,4-triazole CAS Name: 3-(4-tert-butylphenyl)-5-[2-(2-fluorophenoxy)ethylthio]-4-phenyl-1,2,4-triazole IUPAC Name: 3-(4-tert-butylphenyl)-5-[2-(2-fluorophenoxy)ethylsulfanyl]-4-phenyl-1,2,4-triazole Traditional Name: 3-(4-tert-butylphenyl)-5-[2-(2-fluorophenoxy)ethylthio]-4-phenyl-1,2,4-triazole Formula: C26H26FN3OS MolecularWeight: 447.567543

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)SCCOC4=CC=CC=C4F

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C2=NN=C(N2C3=CC=CC=C3)SCCOC4=CC=CC=C4F

InChI

InChI=1S/C26H26FN3OS/c1-26(2,3)20-15-13-19(14-16-20)24-28-29-25(30(24)21-9-5-4-6-10-21)32-18-17-31-23-12-8-7-11-22(23)27/h4-16H,17-18H2,1-3H3