2-[(3-phenyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]benzoate

Systemtic Name: 2-[(3-phenyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]benzoate Openeye Name: 2-[(3-phenyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]benzoate CAS Name: 2-[(3-phenyl-1,2,4-oxadiazol-5-yl)methylthio]benzoate IUPAC Name: 2-[(3-phenyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]benzoate Traditional Name: 2-[(3-phenyl-1,2,4-oxadiazol-5-yl)methylthio]benzoate Formula: C16H11N2O3S- MolecularWeight: 311.33514

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NOC(=N2)CSC3=CC=CC=C3C(=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C2=NOC(=N2)CSC3=CC=CC=C3C(=O)[O-]

InChI

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