2-[(4-tert-butylphenyl)sulfanylmethyl]-5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazole

Systemtic Name: 2-[(4-tert-butylphenyl)sulfanylmethyl]-5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazole Openeye Name: 2-[(4-tert-butylphenyl)sulfanylmethyl]-5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazole CAS Name: 2-[[(4-tert-butylphenyl)thio]methyl]-5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazole IUPAC Name: 2-[(4-tert-butylphenyl)sulfanylmethyl]-5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazole Traditional Name: 2-[[(4-tert-butylphenyl)thio]methyl]-5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazole Formula: C22H26N2O4S MolecularWeight: 414.51784

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)SCC2=NN=C(O2)C3=CC(=C(C(=C3)OC)OC)OC

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)SCC2=NN=C(O2)C3=CC(=C(C(=C3)OC)OC)OC

InChI

InChI=1S/C22H26N2O4S/c1-22(2,3)15-7-9-16(10-8-15)29-13-19-23-24-21(28-19)14-11-17(25-4)20(27-6)18(12-14)26-5/h7-12H,13H2,1-6H3