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

Systemtic Name: 2-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]pyridine-3-carboxylic acid Openeye Name: 2-[(3-isobutyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]pyridine-3-carboxylic acid CAS Name: 2-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methylthio]-3-pyridinecarboxylic acid IUPAC Name: 2-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]pyridine-3-carboxylic acid Traditional Name: 2-[(3-isobutyl-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)CC1=NOC(=N1)CSC2=C(C=CC=N2)C(=O)O

Isomeric SMILES

CC(C)CC1=NOC(=N1)CSC2=C(C=CC=N2)C(=O)O

InChI

InChI=1S/C13H15N3O3S/c1-8(2)6-10-15-11(19-16-10)7-20-12-9(13(17)18)4-3-5-14-12/h3-5,8H,6-7H2,1-2H3,(H,17,18)