[5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl 2-phenylsulfanylpyridine-3-carboxylate

Systemtic Name: [5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl 2-phenylsulfanylpyridine-3-carboxylate Openeye Name: [5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl 2-phenylsulfanylpyridine-3-carboxylate CAS Name: 2-(phenylthio)-3-pyridinecarboxylic acid [5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl ester IUPAC Name: [5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl 2-phenylsulfanylpyridine-3-carboxylate Traditional Name: 2-(phenylthio)nicotinic acid [5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl ester Formula: C24H21N3O6S MolecularWeight: 479.50504

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C2=NN=C(O2)COC(=O)C3=C(N=CC=C3)SC4=CC=CC=C4

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C2=NN=C(O2)COC(=O)C3=C(N=CC=C3)SC4=CC=CC=C4

InChI

InChI=1S/C24H21N3O6S/c1-29-18-12-15(13-19(30-2)21(18)31-3)22-27-26-20(33-22)14-32-24(28)17-10-7-11-25-23(17)34-16-8-5-4-6-9-16/h4-13H,14H2,1-3H3