5-tert-butyl-3-[(3-fluoranyl-4-methoxy-phenyl)methylsulfanyl]-1H-1,2,4-triazole

Systemtic Name: 5-tert-butyl-3-[(3-fluoranyl-4-methoxy-phenyl)methylsulfanyl]-1H-1,2,4-triazole Openeye Name: 5-tert-butyl-3-[(3-fluoro-4-methoxy-phenyl)methylsulfanyl]-1H-1,2,4-triazole CAS Name: 5-tert-butyl-3-[(3-fluoro-4-methoxyphenyl)methylthio]-1H-1,2,4-triazole IUPAC Name: 5-tert-butyl-3-[(3-fluoro-4-methoxyphenyl)methylsulfanyl]-1H-1,2,4-triazole Traditional Name: 5-tert-butyl-3-[(3-fluoro-4-methoxy-benzyl)thio]-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)SCC2=CC(=C(C=C2)OC)F

Isomeric SMILES

CC(C)(C)C1=NC(=NN1)SCC2=CC(=C(C=C2)OC)F

InChI

InChI=1S/C14H18FN3OS/c1-14(2,3)12-16-13(18-17-12)20-8-9-5-6-11(19-4)10(15)7-9/h5-7H,8H2,1-4H3,(H,16,17,18)