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

Systemtic Name: phenyl 2-[[4-(4-fluorophenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]ethanesulfonate Openeye Name: phenyl 2-[[4-(4-fluorophenyl)-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]ethanesulfonate CAS Name: 2-[[4-(4-fluorophenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]thio]ethanesulfonic acid phenyl ester IUPAC Name: phenyl 2-[[4-(4-fluorophenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]ethanesulfonate Traditional Name: 2-[[4-(4-fluorophenyl)-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]ethanesulfonic acid phenyl ester Formula: C21H17FN4O3S2 MolecularWeight: 456.513083

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OS(=O)(=O)CCSC2=NN=C(N2C3=CC=C(C=C3)F)C4=CC=NC=C4

Isomeric SMILES

C1=CC=C(C=C1)OS(=O)(=O)CCSC2=NN=C(N2C3=CC=C(C=C3)F)C4=CC=NC=C4

InChI

InChI=1S/C21H17FN4O3S2/c22-17-6-8-18(9-7-17)26-20(16-10-12-23-13-11-16)24-25-21(26)30-14-15-31(27,28)29-19-4-2-1-3-5-19/h1-13H,14-15H2