4-methyl-3-(4-methylsulfonyl-2-nitro-phenyl)sulfanyl-5-(trifluoromethyl)-1,2,4-triazole

Systemtic Name: 4-methyl-3-(4-methylsulfonyl-2-nitro-phenyl)sulfanyl-5-(trifluoromethyl)-1,2,4-triazole Openeye Name: 4-methyl-3-(4-methylsulfonyl-2-nitro-phenyl)sulfanyl-5-(trifluoromethyl)-1,2,4-triazole CAS Name: 4-methyl-3-[(4-methylsulfonyl-2-nitrophenyl)thio]-5-(trifluoromethyl)-1,2,4-triazole IUPAC Name: 4-methyl-3-(4-methylsulfonyl-2-nitrophenyl)sulfanyl-5-(trifluoromethyl)-1,2,4-triazole Traditional Name: 3-[(4-mesyl-2-nitro-phenyl)thio]-4-methyl-5-(trifluoromethyl)-1,2,4-triazole Formula: C11H9F3N4O4S2 MolecularWeight: 382.33877

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SC2=C(C=C(C=C2)S(=O)(=O)C)[N+](=O)[O-])C(F)(F)F

Isomeric SMILES

CN1C(=NN=C1SC2=C(C=C(C=C2)S(=O)(=O)C)[N+](=O)[O-])C(F)(F)F

InChI

InChI=1S/C11H9F3N4O4S2/c1-17-9(11(12,13)14)15-16-10(17)23-8-4-3-6(24(2,21)22)5-7(8)18(19)20/h3-5H,1-2H3