2-[(6-bromanyl-1,3-benzodioxol-5-yl)methylsulfanyl]-5-(2-methylphenyl)-1,3,4-oxadiazole

Systemtic Name: 2-[(6-bromanyl-1,3-benzodioxol-5-yl)methylsulfanyl]-5-(2-methylphenyl)-1,3,4-oxadiazole Openeye Name: 2-[(6-bromo-1,3-benzodioxol-5-yl)methylsulfanyl]-5-(o-tolyl)-1,3,4-oxadiazole CAS Name: 2-[(6-bromo-1,3-benzodioxol-5-yl)methylthio]-5-(2-methylphenyl)-1,3,4-oxadiazole IUPAC Name: 2-[(6-bromo-1,3-benzodioxol-5-yl)methylsulfanyl]-5-(2-methylphenyl)-1,3,4-oxadiazole Traditional Name: 2-[(6-bromo-1,3-benzodioxol-5-yl)methylthio]-5-(o-tolyl)-1,3,4-oxadiazole Formula: C17H13BrN2O3S MolecularWeight: 405.26572

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2=NN=C(O2)SCC3=CC4=C(C=C3Br)OCO4

Isomeric SMILES

CC1=CC=CC=C1C2=NN=C(O2)SCC3=CC4=C(C=C3Br)OCO4

InChI

InChI=1S/C17H13BrN2O3S/c1-10-4-2-3-5-12(10)16-19-20-17(23-16)24-8-11-6-14-15(7-13(11)18)22-9-21-14/h2-7H,8-9H2,1H3