2-[(3-butyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]benzoic acid

Systemtic Name: 2-[(3-butyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]benzoic acid Openeye Name: 2-[(3-butyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]benzoic acid CAS Name: 2-[(3-butyl-1,2,4-oxadiazol-5-yl)methylthio]benzoic acid IUPAC Name: 2-[(3-butyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]benzoic acid Traditional Name: 2-[(3-butyl-1,2,4-oxadiazol-5-yl)methylthio]benzoic acid Formula: C14H16N2O3S MolecularWeight: 292.35344

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NOC(=N1)CSC2=CC=CC=C2C(=O)O

Isomeric SMILES

CCCCC1=NOC(=N1)CSC2=CC=CC=C2C(=O)O

InChI

InChI=1S/C14H16N2O3S/c1-2-3-8-12-15-13(19-16-12)9-20-11-7-5-4-6-10(11)14(17)18/h4-7H,2-3,8-9H2,1H3,(H,17,18)