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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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