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

Systemtic Name: 2-[(4-bromophenyl)methylsulfanyl]-5-(3,4-dimethoxyphenyl)-1,3,4-oxadiazole Openeye Name: 2-[(4-bromophenyl)methylsulfanyl]-5-(3,4-dimethoxyphenyl)-1,3,4-oxadiazole CAS Name: 2-[(4-bromophenyl)methylthio]-5-(3,4-dimethoxyphenyl)-1,3,4-oxadiazole IUPAC Name: 2-[(4-bromophenyl)methylsulfanyl]-5-(3,4-dimethoxyphenyl)-1,3,4-oxadiazole Traditional Name: 2-[(4-bromobenzyl)thio]-5-(3,4-dimethoxyphenyl)-1,3,4-oxadiazole Formula: C17H15BrN2O3S MolecularWeight: 407.2816

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=NN=C(O2)SCC3=CC=C(C=C3)Br)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NN=C(O2)SCC3=CC=C(C=C3)Br)OC

InChI

InChI=1S/C17H15BrN2O3S/c1-21-14-8-5-12(9-15(14)22-2)16-19-20-17(23-16)24-10-11-3-6-13(18)7-4-11/h3-9H,10H2,1-2H3