2-(4-methylsulfonylphenyl)-5-[(4-nitrophenyl)methylsulfanyl]-1,3,4-oxadiazole

Systemtic Name: 2-(4-methylsulfonylphenyl)-5-[(4-nitrophenyl)methylsulfanyl]-1,3,4-oxadiazole Openeye Name: 2-(4-methylsulfonylphenyl)-5-[(4-nitrophenyl)methylsulfanyl]-1,3,4-oxadiazole CAS Name: 2-(4-methylsulfonylphenyl)-5-[(4-nitrophenyl)methylthio]-1,3,4-oxadiazole IUPAC Name: 2-(4-methylsulfonylphenyl)-5-[(4-nitrophenyl)methylsulfanyl]-1,3,4-oxadiazole Traditional Name: 2-(4-mesylphenyl)-5-[(4-nitrobenzyl)thio]-1,3,4-oxadiazole Formula: C16H13N3O5S2 MolecularWeight: 391.42152

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)C2=NN=C(O2)SCC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)C2=NN=C(O2)SCC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C16H13N3O5S2/c1-26(22,23)14-8-4-12(5-9-14)15-17-18-16(24-15)25-10-11-2-6-13(7-3-11)19(20)21/h2-9H,10H2,1H3