5-tert-butyl-3-[2-(2-fluoranylphenoxy)ethylsulfanyl]-1H-1,2,4-triazole

Systemtic Name: 5-tert-butyl-3-[2-(2-fluoranylphenoxy)ethylsulfanyl]-1H-1,2,4-triazole Openeye Name: 5-tert-butyl-3-[2-(2-fluorophenoxy)ethylsulfanyl]-1H-1,2,4-triazole CAS Name: 5-tert-butyl-3-[2-(2-fluorophenoxy)ethylthio]-1H-1,2,4-triazole IUPAC Name: 5-tert-butyl-3-[2-(2-fluorophenoxy)ethylsulfanyl]-1H-1,2,4-triazole Traditional Name: 5-tert-butyl-3-[2-(2-fluorophenoxy)ethylthio]-1H-1,2,4-triazole Formula: C14H18FN3OS MolecularWeight: 295.375623

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NC(=NN1)SCCOC2=CC=CC=C2F

Isomeric SMILES

CC(C)(C)C1=NC(=NN1)SCCOC2=CC=CC=C2F

InChI

InChI=1S/C14H18FN3OS/c1-14(2,3)12-16-13(18-17-12)20-9-8-19-11-7-5-4-6-10(11)15/h4-7H,8-9H2,1-3H3,(H,16,17,18)