5-methylsulfanyl-1-(4-nitrophenyl)-3-(trifluoromethyl)-1,2,4-triazole

Systemtic Name: 5-methylsulfanyl-1-(4-nitrophenyl)-3-(trifluoromethyl)-1,2,4-triazole Openeye Name: 5-methylsulfanyl-1-(4-nitrophenyl)-3-(trifluoromethyl)-1,2,4-triazole CAS Name: 5-(methylthio)-1-(4-nitrophenyl)-3-(trifluoromethyl)-1,2,4-triazole IUPAC Name: 5-methylsulfanyl-1-(4-nitrophenyl)-3-(trifluoromethyl)-1,2,4-triazole Traditional Name: 5-(methylthio)-1-(4-nitrophenyl)-3-(trifluoromethyl)-1,2,4-triazole Formula: C10H7F3N4O2S MolecularWeight: 304.24839

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC(=NN1C2=CC=C(C=C2)[N+](=O)[O-])C(F)(F)F

Isomeric SMILES

CSC1=NC(=NN1C2=CC=C(C=C2)[N+](=O)[O-])C(F)(F)F

InChI

InChI=1S/C10H7F3N4O2S/c1-20-9-14-8(10(11,12)13)15-16(9)6-2-4-7(5-3-6)17(18)19/h2-5H,1H3