2-[(4-iodophenyl)methylsulfanyl]-5-(4-methylphenyl)-1,3,4-oxadiazole

Systemtic Name: 2-[(4-iodophenyl)methylsulfanyl]-5-(4-methylphenyl)-1,3,4-oxadiazole Openeye Name: 2-[(4-iodophenyl)methylsulfanyl]-5-(p-tolyl)-1,3,4-oxadiazole CAS Name: 2-[(4-iodophenyl)methylthio]-5-(4-methylphenyl)-1,3,4-oxadiazole IUPAC Name: 2-[(4-iodophenyl)methylsulfanyl]-5-(4-methylphenyl)-1,3,4-oxadiazole Traditional Name: 2-[(4-iodobenzyl)thio]-5-(p-tolyl)-1,3,4-oxadiazole Formula: C16H13IN2OS MolecularWeight: 408.25669

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NN=C(O2)SCC3=CC=C(C=C3)I

Isomeric SMILES

CC1=CC=C(C=C1)C2=NN=C(O2)SCC3=CC=C(C=C3)I

InChI

InChI=1S/C16H13IN2OS/c1-11-2-6-13(7-3-11)15-18-19-16(20-15)21-10-12-4-8-14(17)9-5-12/h2-9H,10H2,1H3