phenyl 2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethanesulfonate

Systemtic Name: phenyl 2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethanesulfonate Openeye Name: phenyl 2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethanesulfonate CAS Name: 2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]thio]ethanesulfonic acid phenyl ester IUPAC Name: phenyl 2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethanesulfonate Traditional Name: 2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]thio]ethanesulfonic acid phenyl ester Formula: C16H13ClN2O4S2 MolecularWeight: 396.86842

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OS(=O)(=O)CCSC2=NN=C(O2)C3=CC=C(C=C3)Cl

Isomeric SMILES

C1=CC=C(C=C1)OS(=O)(=O)CCSC2=NN=C(O2)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C16H13ClN2O4S2/c17-13-8-6-12(7-9-13)15-18-19-16(22-15)24-10-11-25(20,21)23-14-4-2-1-3-5-14/h1-9H,10-11H2