2-(3,4-dimethoxyphenyl)-5-[(4-pyrazol-1-ylphenyl)methylsulfanyl]-1,3,4-oxadiazole

Systemtic Name: 2-(3,4-dimethoxyphenyl)-5-[(4-pyrazol-1-ylphenyl)methylsulfanyl]-1,3,4-oxadiazole Openeye Name: 2-(3,4-dimethoxyphenyl)-5-[(4-pyrazol-1-ylphenyl)methylsulfanyl]-1,3,4-oxadiazole CAS Name: 2-(3,4-dimethoxyphenyl)-5-[[4-(1-pyrazolyl)phenyl]methylthio]-1,3,4-oxadiazole IUPAC Name: 2-(3,4-dimethoxyphenyl)-5-[(4-pyrazol-1-ylphenyl)methylsulfanyl]-1,3,4-oxadiazole Traditional Name: 2-(3,4-dimethoxyphenyl)-5-[(4-pyrazol-1-ylbenzyl)thio]-1,3,4-oxadiazole Formula: C20H18N4O3S MolecularWeight: 394.44692

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=NN=C(O2)SCC3=CC=C(C=C3)N4C=CC=N4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NN=C(O2)SCC3=CC=C(C=C3)N4C=CC=N4)OC

InChI

InChI=1S/C20H18N4O3S/c1-25-17-9-6-15(12-18(17)26-2)19-22-23-20(27-19)28-13-14-4-7-16(8-5-14)24-11-3-10-21-24/h3-12H,13H2,1-2H3