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

Systemtic Name: 2-[(3-propyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]benzoate Openeye Name: 2-[(3-propyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]benzoate CAS Name: 2-[(3-propyl-1,2,4-oxadiazol-5-yl)methylthio]benzoate IUPAC Name: 2-[(3-propyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]benzoate Traditional Name: 2-[(3-propyl-1,2,4-oxadiazol-5-yl)methylthio]benzoate Formula: C13H13N2O3S- MolecularWeight: 277.31892

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NOC(=N1)CSC2=CC=CC=C2C(=O)[O-]

Isomeric SMILES

CCCC1=NOC(=N1)CSC2=CC=CC=C2C(=O)[O-]

InChI

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