3-[3-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]propoxy]benzoic acid

Systemtic Name: 3-[3-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]propoxy]benzoic acid Openeye Name: 3-[3-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]propoxy]benzoic acid CAS Name: 3-[3-[(5-phenyl-1,3,4-oxadiazol-2-yl)thio]propoxy]benzoic acid IUPAC Name: 3-[3-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]propoxy]benzoic acid Traditional Name: 3-[3-[(5-phenyl-1,3,4-oxadiazol-2-yl)thio]propoxy]benzoic acid Formula: C18H16N2O4S MolecularWeight: 356.39564

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NN=C(O2)SCCCOC3=CC=CC(=C3)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C2=NN=C(O2)SCCCOC3=CC=CC(=C3)C(=O)O

InChI

InChI=1S/C18H16N2O4S/c21-17(22)14-8-4-9-15(12-14)23-10-5-11-25-18-20-19-16(24-18)13-6-2-1-3-7-13/h1-4,6-9,12H,5,10-11H2,(H,21,22)