methyl 2-[[4-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]sulfanyl]-5-nitro-benzoate

Systemtic Name: methyl 2-[[4-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]sulfanyl]-5-nitro-benzoate Openeye Name: methyl 2-[[4-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]sulfanyl]-5-nitro-benzoate CAS Name: 2-[[4-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]thio]-5-nitrobenzoic acid methyl ester IUPAC Name: methyl 2-[[4-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]sulfanyl]-5-nitrobenzoate Traditional Name: 2-[[4-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]thio]-5-nitro-benzoic acid methyl ester Formula: C12H9F3N4O4S MolecularWeight: 362.28447

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H9F3N4O4S/c1-18-10(12(13,14)15)16-17-11(18)24-8-4-3-6(19(21)22)5-7(8)9(20)23-2/h3-5H,1-2H3