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

Systemtic Name: phenyl 2-[[5-(4-fluorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]ethanesulfonate Openeye Name: phenyl 2-[[5-(4-fluorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]ethanesulfonate CAS Name: 2-[[5-(4-fluorophenyl)-4-methyl-1,2,4-triazol-3-yl]thio]ethanesulfonic acid phenyl ester IUPAC Name: phenyl 2-[[5-(4-fluorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]ethanesulfonate Traditional Name: 2-[[5-(4-fluorophenyl)-4-methyl-1,2,4-triazol-3-yl]thio]ethanesulfonic acid phenyl ester Formula: C17H16FN3O3S2 MolecularWeight: 393.455643

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCCS(=O)(=O)OC2=CC=CC=C2)C3=CC=C(C=C3)F

Isomeric SMILES

CN1C(=NN=C1SCCS(=O)(=O)OC2=CC=CC=C2)C3=CC=C(C=C3)F

InChI

InChI=1S/C17H16FN3O3S2/c1-21-16(13-7-9-14(18)10-8-13)19-20-17(21)25-11-12-26(22,23)24-15-5-3-2-4-6-15/h2-10H,11-12H2,1H3