2-[(2-methoxy-5-nitro-phenyl)methylsulfanyl]-5-(4-methylphenyl)-1,3,4-oxadiazole

Systemtic Name: 2-[(2-methoxy-5-nitro-phenyl)methylsulfanyl]-5-(4-methylphenyl)-1,3,4-oxadiazole Openeye Name: 2-[(2-methoxy-5-nitro-phenyl)methylsulfanyl]-5-(p-tolyl)-1,3,4-oxadiazole CAS Name: 2-[(2-methoxy-5-nitrophenyl)methylthio]-5-(4-methylphenyl)-1,3,4-oxadiazole IUPAC Name: 2-[(2-methoxy-5-nitrophenyl)methylsulfanyl]-5-(4-methylphenyl)-1,3,4-oxadiazole Traditional Name: 2-[(2-methoxy-5-nitro-benzyl)thio]-5-(p-tolyl)-1,3,4-oxadiazole Formula: C17H15N3O4S MolecularWeight: 357.3837

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NN=C(O2)SCC3=C(C=CC(=C3)[N+](=O)[O-])OC

Isomeric SMILES

CC1=CC=C(C=C1)C2=NN=C(O2)SCC3=C(C=CC(=C3)[N+](=O)[O-])OC

InChI

InChI=1S/C17H15N3O4S/c1-11-3-5-12(6-4-11)16-18-19-17(24-16)25-10-13-9-14(20(21)22)7-8-15(13)23-2/h3-9H,10H2,1-2H3