1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl 3-phenylsulfanylpropanoate

Systemtic Name: 1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl 3-phenylsulfanylpropanoate Openeye Name: 1-[5-(p-tolyl)-1,3,4-oxadiazol-2-yl]ethyl 3-phenylsulfanylpropanoate CAS Name: 3-(phenylthio)propanoic acid 1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl ester IUPAC Name: 1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl 3-phenylsulfanylpropanoate Traditional Name: 3-(phenylthio)propionic acid 1-[5-(p-tolyl)-1,3,4-oxadiazol-2-yl]ethyl ester Formula: C20H20N2O3S MolecularWeight: 368.4494

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NN=C(O2)C(C)OC(=O)CCSC3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)C2=NN=C(O2)C(C)OC(=O)CCSC3=CC=CC=C3

InChI

InChI=1S/C20H20N2O3S/c1-14-8-10-16(11-9-14)20-22-21-19(25-20)15(2)24-18(23)12-13-26-17-6-4-3-5-7-17/h3-11,15H,12-13H2,1-2H3