5-[3,3,3-tris(fluoranyl)propylsulfanyl]-1H-1,2,4-triazole

Systemtic Name: 5-[3,3,3-tris(fluoranyl)propylsulfanyl]-1H-1,2,4-triazole Openeye Name: 5-(3,3,3-trifluoropropylsulfanyl)-1H-1,2,4-triazole CAS Name: 5-(3,3,3-trifluoropropylthio)-1H-1,2,4-triazole IUPAC Name: 5-(3,3,3-trifluoropropylsulfanyl)-1H-1,2,4-triazole Traditional Name: 5-(3,3,3-trifluoropropylthio)-1H-1,2,4-triazole Formula: C5H6F3N3S MolecularWeight: 197.18145

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=NNC(=N1)SCCC(F)(F)F

Isomeric SMILES

C1=NNC(=N1)SCCC(F)(F)F

InChI

InChI=1S/C5H6F3N3S/c6-5(7,8)1-2-12-4-9-3-10-11-4/h3H,1-2H2,(H,9,10,11)