2-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]pyridine-3-carboxylic acid

Systemtic Name: 2-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]pyridine-3-carboxylic acid Openeye Name: 2-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]pyridine-3-carboxylic acid CAS Name: 2-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methylthio]-3-pyridinecarboxylic acid IUPAC Name: 2-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]pyridine-3-carboxylic acid Traditional Name: 2-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methylthio]nicotinic acid Formula: C13H15N3O3S MolecularWeight: 293.3415

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NOC(=N1)CSC2=C(C=CC=N2)C(=O)O

Isomeric SMILES

CC(C)(C)C1=NOC(=N1)CSC2=C(C=CC=N2)C(=O)O

InChI

InChI=1S/C13H15N3O3S/c1-13(2,3)12-15-9(19-16-12)7-20-10-8(11(17)18)5-4-6-14-10/h4-6H,7H2,1-3H3,(H,17,18)