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

Systemtic Name: methyl 3-[[5-(3,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]benzoate Openeye Name: methyl 3-[[5-(3,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]benzoate CAS Name: 3-[[[5-(3,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]thio]methyl]benzoic acid methyl ester IUPAC Name: methyl 3-[[5-(3,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]benzoate Traditional Name: 3-[[[5-(3,4-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=C(C=C(C=C1)C2=NN=C(O2)SCC3=CC=CC(=C3)C(=O)OC)C

Isomeric SMILES

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

InChI

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