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

Systemtic Name: 4-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]benzoic acid Openeye Name: 4-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]benzoic acid CAS Name: 4-[[(5-phenyl-1,3,4-oxadiazol-2-yl)thio]methyl]benzoic acid IUPAC Name: 4-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]benzoic acid Traditional Name: 4-[[(5-phenyl-1,3,4-oxadiazol-2-yl)thio]methyl]benzoic acid Formula: C16H12N2O3S MolecularWeight: 312.34308

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NN=C(O2)SCC3=CC=C(C=C3)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C2=NN=C(O2)SCC3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C16H12N2O3S/c19-15(20)13-8-6-11(7-9-13)10-22-16-18-17-14(21-16)12-4-2-1-3-5-12/h1-9H,10H2,(H,19,20)