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

Systemtic Name: 2-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methylsulfanyl]benzoic acid Openeye Name: 2-[(5-isobutyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]benzoic acid CAS Name: 2-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methylthio]benzoic acid IUPAC Name: 2-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methylsulfanyl]benzoic acid Traditional Name: 2-[(5-isobutyl-1,2,4-oxadiazol-3-yl)methylthio]benzoic acid Formula: C14H16N2O3S MolecularWeight: 292.35344

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=NC(=NO1)CSC2=CC=CC=C2C(=O)O

Isomeric SMILES

CC(C)CC1=NC(=NO1)CSC2=CC=CC=C2C(=O)O

InChI

InChI=1S/C14H16N2O3S/c1-9(2)7-13-15-12(16-19-13)8-20-11-6-4-3-5-10(11)14(17)18/h3-6,9H,7-8H2,1-2H3,(H,17,18)