3-prop-2-enylsulfanyl-5-(trifluoromethyl)-1H-1,2,4-triazole

Systemtic Name: 3-prop-2-enylsulfanyl-5-(trifluoromethyl)-1H-1,2,4-triazole Openeye Name: 3-allylsulfanyl-5-(trifluoromethyl)-1H-1,2,4-triazole CAS Name: 3-(prop-2-enylthio)-5-(trifluoromethyl)-1H-1,2,4-triazole IUPAC Name: 3-prop-2-enylsulfanyl-5-(trifluoromethyl)-1H-1,2,4-triazole Traditional Name: 3-(allylthio)-5-(trifluoromethyl)-1H-1,2,4-triazole Formula: C6H6F3N3S MolecularWeight: 209.19215

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C6H6F3N3S/c1-2-3-13-5-10-4(11-12-5)6(7,8)9/h2H,1,3H2,(H,10,11,12)