5-[3,5-bis(trifluoromethyl)phenyl]-3-prop-2-enylsulfanyl-1H-1,2,4-triazole

Systemtic Name: 5-[3,5-bis(trifluoromethyl)phenyl]-3-prop-2-enylsulfanyl-1H-1,2,4-triazole Openeye Name: 3-allylsulfanyl-5-[3,5-bis(trifluoromethyl)phenyl]-1H-1,2,4-triazole CAS Name: 5-[3,5-bis(trifluoromethyl)phenyl]-3-(prop-2-enylthio)-1H-1,2,4-triazole IUPAC Name: 5-[3,5-bis(trifluoromethyl)phenyl]-3-prop-2-enylsulfanyl-1H-1,2,4-triazole Traditional Name: 3-(allylthio)-5-[3,5-bis(trifluoromethyl)phenyl]-1H-1,2,4-triazole Formula: C13H9F6N3S MolecularWeight: 353.286079

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C=CCSC1=NNC(=N1)C2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F

Isomeric SMILES

C=CCSC1=NNC(=N1)C2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F

InChI

InChI=1S/C13H9F6N3S/c1-2-3-23-11-20-10(21-22-11)7-4-8(12(14,15)16)6-9(5-7)13(17,18)19/h2,4-6H,1,3H2,(H,20,21,22)