methyl 4-[[5-(3,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]benzoate

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)C2=NN=C(O2)SCC3=CC=C(C=C3)C(=O)OC)C

Isomeric SMILES

CC1=CC(=CC(=C1)C2=NN=C(O2)SCC3=CC=C(C=C3)C(=O)OC)C

InChI

InChI=1S/C19H18N2O3S/c1-12-8-13(2)10-16(9-12)17-20-21-19(24-17)25-11-14-4-6-15(7-5-14)18(22)23-3/h4-10H,11H2,1-3H3