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

Systemtic Name: 2-[(3-ethyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]benzoate Openeye Name: 2-[(3-ethyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]benzoate CAS Name: 2-[(3-ethyl-1,2,4-oxadiazol-5-yl)methylthio]benzoate IUPAC Name: 2-[(3-ethyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]benzoate Traditional Name: 2-[(3-ethyl-1,2,4-oxadiazol-5-yl)methylthio]benzoate Formula: C12H11N2O3S- MolecularWeight: 263.29234

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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)/p-1