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

Systemtic Name: phenyl 2-[[4-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanesulfonate Openeye Name: phenyl 2-[[4-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanesulfonate CAS Name: 2-[[4-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]thio]ethanesulfonic acid phenyl ester IUPAC Name: phenyl 2-[[4-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanesulfonate Traditional Name: 2-[[4-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]thio]ethanesulfonic acid phenyl ester Formula: C12H12F3N3O3S2 MolecularWeight: 367.36719

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCCS(=O)(=O)OC2=CC=CC=C2)C(F)(F)F

Isomeric SMILES

CN1C(=NN=C1SCCS(=O)(=O)OC2=CC=CC=C2)C(F)(F)F

InChI

InChI=1S/C12H12F3N3O3S2/c1-18-10(12(13,14)15)16-17-11(18)22-7-8-23(19,20)21-9-5-3-2-4-6-9/h2-6H,7-8H2,1H3