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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=NOC(=N1)CSC2=CC=CC=C2C(=O)O

Isomeric SMILES

CC(C)CC1=NOC(=N1)CSC2=CC=CC=C2C(=O)O

InChI

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