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

Systemtic Name: phenyl 2-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethanesulfonate Openeye Name: phenyl 2-[[5-(m-tolyl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethanesulfonate CAS Name: 2-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]thio]ethanesulfonic acid phenyl ester IUPAC Name: phenyl 2-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethanesulfonate Traditional Name: 2-[[5-(m-tolyl)-1,3,4-oxadiazol-2-yl]thio]ethanesulfonic acid phenyl ester Formula: C17H16N2O4S2 MolecularWeight: 376.44994

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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

Isomeric SMILES

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

InChI

InChI=1S/C17H16N2O4S2/c1-13-6-5-7-14(12-13)16-18-19-17(22-16)24-10-11-25(20,21)23-15-8-3-2-4-9-15/h2-9,12H,10-11H2,1H3