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

Systemtic Name: 2-[(3-pentyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]benzoic acid Openeye Name: 2-[(3-pentyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]benzoic acid CAS Name: 2-[(3-pentyl-1,2,4-oxadiazol-5-yl)methylthio]benzoic acid IUPAC Name: 2-[(3-pentyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]benzoic acid Traditional Name: 2-[(3-amyl-1,2,4-oxadiazol-5-yl)methylthio]benzoic acid Formula: C15H18N2O3S MolecularWeight: 306.38002

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=NOC(=N1)CSC2=CC=CC=C2C(=O)O

Isomeric SMILES

CCCCCC1=NOC(=N1)CSC2=CC=CC=C2C(=O)O

InChI

InChI=1S/C15H18N2O3S/c1-2-3-4-9-13-16-14(20-17-13)10-21-12-8-6-5-7-11(12)15(18)19/h5-8H,2-4,9-10H2,1H3,(H,18,19)