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

Systemtic Name: phenyl 2-[[5-(3,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethanesulfonate Openeye Name: phenyl 2-[[5-(3,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethanesulfonate CAS Name: 2-[[5-(3,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]thio]ethanesulfonic acid phenyl ester IUPAC Name: phenyl 2-[[5-(3,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethanesulfonate Traditional Name: 2-[[5-(3,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]thio]ethanesulfonic acid phenyl ester Formula: C18H18N2O4S2 MolecularWeight: 390.47652

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)C2=NN=C(O2)SCCS(=O)(=O)OC3=CC=CC=C3)C

Isomeric SMILES

CC1=CC(=CC(=C1)C2=NN=C(O2)SCCS(=O)(=O)OC3=CC=CC=C3)C

InChI

InChI=1S/C18H18N2O4S2/c1-13-10-14(2)12-15(11-13)17-19-20-18(23-17)25-8-9-26(21,22)24-16-6-4-3-5-7-16/h3-7,10-12H,8-9H2,1-2H3