[3-(trifluoromethyl)phenyl] 5-(4-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)thiophene-2-sulfonate

Systemtic Name: [3-(trifluoromethyl)phenyl] 5-(4-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)thiophene-2-sulfonate Openeye Name: [3-(trifluoromethyl)phenyl] 5-(4-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)thiophene-2-sulfonate CAS Name: 5-[4-methyl-5-(methylthio)-1,2,4-triazol-3-yl]-2-thiophenesulfonic acid [3-(trifluoromethyl)phenyl] ester IUPAC Name: [3-(trifluoromethyl)phenyl] 5-(4-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)thiophene-2-sulfonate Traditional Name: 5-[4-methyl-5-(methylthio)-1,2,4-triazol-3-yl]thiophene-2-sulfonic acid [3-(trifluoromethyl)phenyl] ester Formula: C15H12F3N3O3S3 MolecularWeight: 435.46429

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SC)C2=CC=C(S2)S(=O)(=O)OC3=CC=CC(=C3)C(F)(F)F

Isomeric SMILES

CN1C(=NN=C1SC)C2=CC=C(S2)S(=O)(=O)OC3=CC=CC(=C3)C(F)(F)F

InChI

InChI=1S/C15H12F3N3O3S3/c1-21-13(19-20-14(21)25-2)11-6-7-12(26-11)27(22,23)24-10-5-3-4-9(8-10)15(16,17)18/h3-8H,1-2H3