2-[(3-bromophenyl)methylsulfanyl]-5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazole

Systemtic Name: 2-[(3-bromophenyl)methylsulfanyl]-5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazole Openeye Name: 2-[(3-bromophenyl)methylsulfanyl]-5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazole CAS Name: 2-[(3-bromophenyl)methylthio]-5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazole IUPAC Name: 2-[(3-bromophenyl)methylsulfanyl]-5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazole Traditional Name: 2-[(3-bromobenzyl)thio]-5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazole Formula: C18H17BrN2O4S MolecularWeight: 437.30758

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C2=NN=C(O2)SCC3=CC(=CC=C3)Br

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C2=NN=C(O2)SCC3=CC(=CC=C3)Br

InChI

InChI=1S/C18H17BrN2O4S/c1-22-14-8-12(9-15(23-2)16(14)24-3)17-20-21-18(25-17)26-10-11-5-4-6-13(19)7-11/h4-9H,10H2,1-3H3