2-(3,4-dimethoxyphenyl)-5-(1,2-oxazol-3-ylmethylsulfanyl)-1,3,4-oxadiazole

Systemtic Name: 2-(3,4-dimethoxyphenyl)-5-(1,2-oxazol-3-ylmethylsulfanyl)-1,3,4-oxadiazole Openeye Name: 2-(3,4-dimethoxyphenyl)-5-(isoxazol-3-ylmethylsulfanyl)-1,3,4-oxadiazole CAS Name: 2-(3,4-dimethoxyphenyl)-5-(3-isoxazolylmethylthio)-1,3,4-oxadiazole IUPAC Name: 2-(3,4-dimethoxyphenyl)-5-(1,2-oxazol-3-ylmethylsulfanyl)-1,3,4-oxadiazole Traditional Name: 2-(3,4-dimethoxyphenyl)-5-(isoxazol-3-ylmethylthio)-1,3,4-oxadiazole Formula: C14H13N3O4S MolecularWeight: 319.33572

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=NN=C(O2)SCC3=NOC=C3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NN=C(O2)SCC3=NOC=C3)OC

InChI

InChI=1S/C14H13N3O4S/c1-18-11-4-3-9(7-12(11)19-2)13-15-16-14(21-13)22-8-10-5-6-20-17-10/h3-7H,8H2,1-2H3