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

Systemtic Name: 4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methylsulfanyl]benzoic acid Openeye Name: 4-[(3-isopropyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]benzoic acid CAS Name: 4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methylthio]benzoic acid IUPAC Name: 4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methylsulfanyl]benzoic acid Traditional Name: 4-[(3-isopropyl-1,2,4-oxadiazol-5-yl)methylthio]benzoic acid Formula: C13H14N2O3S MolecularWeight: 278.32686

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=NOC(=N1)CSC2=CC=C(C=C2)C(=O)O

Isomeric SMILES

CC(C)C1=NOC(=N1)CSC2=CC=C(C=C2)C(=O)O

InChI

InChI=1S/C13H14N2O3S/c1-8(2)12-14-11(18-15-12)7-19-10-5-3-9(4-6-10)13(16)17/h3-6,8H,7H2,1-2H3,(H,16,17)