2-[[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethyl benzoate

Systemtic Name: 2-[[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethyl benzoate Openeye Name: 2-[[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethyl benzoate CAS Name: benzoic acid 2-[[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]thio]ethyl ester IUPAC Name: 2-[[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethyl benzoate Traditional Name: benzoic acid 2-[[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]thio]ethyl ester Formula: C21H22N2O3S MolecularWeight: 382.47598

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C2=NN=C(O2)SCCOC(=O)C3=CC=CC=C3

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C2=NN=C(O2)SCCOC(=O)C3=CC=CC=C3

InChI

InChI=1S/C21H22N2O3S/c1-21(2,3)17-11-9-15(10-12-17)18-22-23-20(26-18)27-14-13-25-19(24)16-7-5-4-6-8-16/h4-12H,13-14H2,1-3H3