4-methyl-3-(2-methylpropylsulfanyl)-5-(trifluoromethyl)-1,2,4-triazole

Systemtic Name: 4-methyl-3-(2-methylpropylsulfanyl)-5-(trifluoromethyl)-1,2,4-triazole Openeye Name: 3-isobutylsulfanyl-4-methyl-5-(trifluoromethyl)-1,2,4-triazole CAS Name: 4-methyl-3-(2-methylpropylthio)-5-(trifluoromethyl)-1,2,4-triazole IUPAC Name: 4-methyl-3-(2-methylpropylsulfanyl)-5-(trifluoromethyl)-1,2,4-triazole Traditional Name: 3-(isobutylthio)-4-methyl-5-(trifluoromethyl)-1,2,4-triazole Formula: C8H12F3N3S MolecularWeight: 239.26119

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CSC1=NN=C(N1C)C(F)(F)F

Isomeric SMILES

CC(C)CSC1=NN=C(N1C)C(F)(F)F

InChI

InChI=1S/C8H12F3N3S/c1-5(2)4-15-7-13-12-6(14(7)3)8(9,10)11/h5H,4H2,1-3H3