methyl 6-[[4-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]sulfanyl]-5-nitro-pyridine-3-carboxylate

Systemtic Name: methyl 6-[[4-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]sulfanyl]-5-nitro-pyridine-3-carboxylate Openeye Name: methyl 6-[[4-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]sulfanyl]-5-nitro-pyridine-3-carboxylate CAS Name: 6-[[4-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]thio]-5-nitro-3-pyridinecarboxylic acid methyl ester IUPAC Name: methyl 6-[[4-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]sulfanyl]-5-nitropyridine-3-carboxylate Traditional Name: 6-[[4-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]thio]-5-nitro-nicotinic acid methyl ester Formula: C11H8F3N5O4S MolecularWeight: 363.27253

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SC2=C(C=C(C=N2)C(=O)OC)[N+](=O)[O-])C(F)(F)F

Isomeric SMILES

CN1C(=NN=C1SC2=C(C=C(C=N2)C(=O)OC)[N+](=O)[O-])C(F)(F)F

InChI

InChI=1S/C11H8F3N5O4S/c1-18-9(11(12,13)14)16-17-10(18)24-7-6(19(21)22)3-5(4-15-7)8(20)23-2/h3-4H,1-2H3