2-[3-(4-tert-butylphenoxy)propylsulfanyl]-5-(3,4-dimethoxyphenyl)-1,3,4-oxadiazole

Systemtic Name: 2-[3-(4-tert-butylphenoxy)propylsulfanyl]-5-(3,4-dimethoxyphenyl)-1,3,4-oxadiazole Openeye Name: 2-[3-(4-tert-butylphenoxy)propylsulfanyl]-5-(3,4-dimethoxyphenyl)-1,3,4-oxadiazole CAS Name: 2-[3-(4-tert-butylphenoxy)propylthio]-5-(3,4-dimethoxyphenyl)-1,3,4-oxadiazole IUPAC Name: 2-[3-(4-tert-butylphenoxy)propylsulfanyl]-5-(3,4-dimethoxyphenyl)-1,3,4-oxadiazole Traditional Name: 2-[3-(4-tert-butylphenoxy)propylthio]-5-(3,4-dimethoxyphenyl)-1,3,4-oxadiazole Formula: C23H28N2O4S MolecularWeight: 428.54442

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)OCCCSC2=NN=C(O2)C3=CC(=C(C=C3)OC)OC

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)OCCCSC2=NN=C(O2)C3=CC(=C(C=C3)OC)OC

InChI

InChI=1S/C23H28N2O4S/c1-23(2,3)17-8-10-18(11-9-17)28-13-6-14-30-22-25-24-21(29-22)16-7-12-19(26-4)20(15-16)27-5/h7-12,15H,6,13-14H2,1-5H3