2-(3,5-dimethoxyphenyl)-5-[(1,3-diphenylpyrazol-4-yl)methylsulfanyl]-1,3,4-oxadiazole

Systemtic Name: 2-(3,5-dimethoxyphenyl)-5-[(1,3-diphenylpyrazol-4-yl)methylsulfanyl]-1,3,4-oxadiazole Openeye Name: 2-(3,5-dimethoxyphenyl)-5-[(1,3-diphenylpyrazol-4-yl)methylsulfanyl]-1,3,4-oxadiazole CAS Name: 2-(3,5-dimethoxyphenyl)-5-[(1,3-diphenyl-4-pyrazolyl)methylthio]-1,3,4-oxadiazole IUPAC Name: 2-(3,5-dimethoxyphenyl)-5-[(1,3-diphenylpyrazol-4-yl)methylsulfanyl]-1,3,4-oxadiazole Traditional Name: 2-(3,5-dimethoxyphenyl)-5-[(1,3-diphenylpyrazol-4-yl)methylthio]-1,3,4-oxadiazole Formula: C26H22N4O3S MolecularWeight: 470.54288

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1)C2=NN=C(O2)SCC3=CN(N=C3C4=CC=CC=C4)C5=CC=CC=C5)OC

Isomeric SMILES

COC1=CC(=CC(=C1)C2=NN=C(O2)SCC3=CN(N=C3C4=CC=CC=C4)C5=CC=CC=C5)OC

InChI

InChI=1S/C26H22N4O3S/c1-31-22-13-19(14-23(15-22)32-2)25-27-28-26(33-25)34-17-20-16-30(21-11-7-4-8-12-21)29-24(20)18-9-5-3-6-10-18/h3-16H,17H2,1-2H3