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

Systemtic Name: 2-(3,5-dimethylphenyl)-5-[(1,3-diphenylpyrazol-4-yl)methylsulfanyl]-1,3,4-oxadiazole Openeye Name: 2-(3,5-dimethylphenyl)-5-[(1,3-diphenylpyrazol-4-yl)methylsulfanyl]-1,3,4-oxadiazole CAS Name: 2-(3,5-dimethylphenyl)-5-[(1,3-diphenyl-4-pyrazolyl)methylthio]-1,3,4-oxadiazole IUPAC Name: 2-(3,5-dimethylphenyl)-5-[(1,3-diphenylpyrazol-4-yl)methylsulfanyl]-1,3,4-oxadiazole Traditional Name: 2-(3,5-dimethylphenyl)-5-[(1,3-diphenylpyrazol-4-yl)methylthio]-1,3,4-oxadiazole Formula: C26H22N4OS MolecularWeight: 438.54408

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)C2=NN=C(O2)SCC3=CN(N=C3C4=CC=CC=C4)C5=CC=CC=C5)C

Isomeric SMILES

CC1=CC(=CC(=C1)C2=NN=C(O2)SCC3=CN(N=C3C4=CC=CC=C4)C5=CC=CC=C5)C

InChI

InChI=1S/C26H22N4OS/c1-18-13-19(2)15-21(14-18)25-27-28-26(31-25)32-17-22-16-30(23-11-7-4-8-12-23)29-24(22)20-9-5-3-6-10-20/h3-16H,17H2,1-2H3