2-(2-bromophenyl)-5-[(4-tert-butyl-2,6-dimethyl-phenyl)methylsulfanyl]-1,3,4-oxadiazole

Systemtic Name: 2-(2-bromophenyl)-5-[(4-tert-butyl-2,6-dimethyl-phenyl)methylsulfanyl]-1,3,4-oxadiazole Openeye Name: 2-(2-bromophenyl)-5-[(4-tert-butyl-2,6-dimethyl-phenyl)methylsulfanyl]-1,3,4-oxadiazole CAS Name: 2-(2-bromophenyl)-5-[(4-tert-butyl-2,6-dimethylphenyl)methylthio]-1,3,4-oxadiazole IUPAC Name: 2-(2-bromophenyl)-5-[(4-tert-butyl-2,6-dimethylphenyl)methylsulfanyl]-1,3,4-oxadiazole Traditional Name: 2-(2-bromophenyl)-5-[(4-tert-butyl-2,6-dimethyl-benzyl)thio]-1,3,4-oxadiazole Formula: C21H23BrN2OS MolecularWeight: 431.38912

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1CSC2=NN=C(O2)C3=CC=CC=C3Br)C)C(C)(C)C

Isomeric SMILES

CC1=CC(=CC(=C1CSC2=NN=C(O2)C3=CC=CC=C3Br)C)C(C)(C)C

InChI

InChI=1S/C21H23BrN2OS/c1-13-10-15(21(3,4)5)11-14(2)17(13)12-26-20-24-23-19(25-20)16-8-6-7-9-18(16)22/h6-11H,12H2,1-5H3