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

Systemtic Name: 2-[[5-(3,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethyl benzoate Openeye Name: 2-[[5-(3,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethyl benzoate CAS Name: benzoic acid 2-[[5-(3,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]thio]ethyl ester IUPAC Name: 2-[[5-(3,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethyl benzoate Traditional Name: benzoic acid 2-[[5-(3,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]thio]ethyl ester Formula: C19H18N2O3S MolecularWeight: 354.42282

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H18N2O3S/c1-13-8-9-16(12-14(13)2)17-20-21-19(24-17)25-11-10-23-18(22)15-6-4-3-5-7-15/h3-9,12H,10-11H2,1-2H3