4-[2-[[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethoxy]benzenecarbonitrile

Systemtic Name: 4-[2-[[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethoxy]benzenecarbonitrile Openeye Name: 4-[2-[[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethoxy]benzonitrile CAS Name: 4-[2-[[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]thio]ethoxy]benzonitrile IUPAC Name: 4-[2-[[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethoxy]benzonitrile Traditional Name: 4-[2-[[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]thio]ethoxy]benzonitrile Formula: C21H21N3O2S MolecularWeight: 379.47534

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C2=NN=C(O2)SCCOC3=CC=C(C=C3)C#N

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C2=NN=C(O2)SCCOC3=CC=C(C=C3)C#N

InChI

InChI=1S/C21H21N3O2S/c1-21(2,3)17-8-6-16(7-9-17)19-23-24-20(26-19)27-13-12-25-18-10-4-15(14-22)5-11-18/h4-11H,12-13H2,1-3H3