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

Systemtic Name: phenyl 2-[[4-(4-fluorophenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]ethanesulfonate Openeye Name: phenyl 2-[[4-(4-fluorophenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]ethanesulfonate CAS Name: 2-[[4-(4-fluorophenyl)-5-phenyl-1,2,4-triazol-3-yl]thio]ethanesulfonic acid phenyl ester IUPAC Name: phenyl 2-[[4-(4-fluorophenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]ethanesulfonate Traditional Name: 2-[[4-(4-fluorophenyl)-5-phenyl-1,2,4-triazol-3-yl]thio]ethanesulfonic acid phenyl ester Formula: C22H18FN3O3S2 MolecularWeight: 455.525023

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NN=C(N2C3=CC=C(C=C3)F)SCCS(=O)(=O)OC4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)C2=NN=C(N2C3=CC=C(C=C3)F)SCCS(=O)(=O)OC4=CC=CC=C4

InChI

InChI=1S/C22H18FN3O3S2/c23-18-11-13-19(14-12-18)26-21(17-7-3-1-4-8-17)24-25-22(26)30-15-16-31(27,28)29-20-9-5-2-6-10-20/h1-14H,15-16H2