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

Systemtic Name: 2-[(3-butyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]benzoate Openeye Name: 2-[(3-butyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]benzoate CAS Name: 2-[(3-butyl-1,2,4-oxadiazol-5-yl)methylthio]benzoate IUPAC Name: 2-[(3-butyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]benzoate Traditional Name: 2-[(3-butyl-1,2,4-oxadiazol-5-yl)methylthio]benzoate Formula: C14H15N2O3S- MolecularWeight: 291.3455

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NOC(=N1)CSC2=CC=CC=C2C(=O)[O-]

Isomeric SMILES

CCCCC1=NOC(=N1)CSC2=CC=CC=C2C(=O)[O-]

InChI

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