3-[2-(4-ethoxyphenoxy)ethylsulfanyl]-5-(2-fluorophenyl)-4-phenethyl-1,2,4-triazole

Systemtic Name: 3-[2-(4-ethoxyphenoxy)ethylsulfanyl]-5-(2-fluorophenyl)-4-phenethyl-1,2,4-triazole Openeye Name: 3-[2-(4-ethoxyphenoxy)ethylsulfanyl]-5-(2-fluorophenyl)-4-phenethyl-1,2,4-triazole CAS Name: 3-[2-(4-ethoxyphenoxy)ethylthio]-5-(2-fluorophenyl)-4-phenethyl-1,2,4-triazole IUPAC Name: 3-[2-(4-ethoxyphenoxy)ethylsulfanyl]-5-(2-fluorophenyl)-4-phenethyl-1,2,4-triazole Traditional Name: 3-[2-(4-ethoxyphenoxy)ethylthio]-5-(2-fluorophenyl)-4-phenethyl-1,2,4-triazole Formula: C26H26FN3O2S MolecularWeight: 463.566943

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)OCCSC2=NN=C(N2CCC3=CC=CC=C3)C4=CC=CC=C4F

Isomeric SMILES

CCOC1=CC=C(C=C1)OCCSC2=NN=C(N2CCC3=CC=CC=C3)C4=CC=CC=C4F

InChI

InChI=1S/C26H26FN3O2S/c1-2-31-21-12-14-22(15-13-21)32-18-19-33-26-29-28-25(23-10-6-7-11-24(23)27)30(26)17-16-20-8-4-3-5-9-20/h3-15H,2,16-19H2,1H3