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

Systemtic Name: 2-[(3-ethyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]benzoic acid Openeye Name: 2-[(3-ethyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]benzoic acid CAS Name: 2-[(3-ethyl-1,2,4-oxadiazol-5-yl)methylthio]benzoic acid IUPAC Name: 2-[(3-ethyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]benzoic acid Traditional Name: 2-[(3-ethyl-1,2,4-oxadiazol-5-yl)methylthio]benzoic acid Formula: C12H12N2O3S MolecularWeight: 264.30028

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NOC(=N1)CSC2=CC=CC=C2C(=O)O

Isomeric SMILES

CCC1=NOC(=N1)CSC2=CC=CC=C2C(=O)O

InChI

InChI=1S/C12H12N2O3S/c1-2-10-13-11(17-14-10)7-18-9-6-4-3-5-8(9)12(15)16/h3-6H,2,7H2,1H3,(H,15,16)