2-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)sulfanyl]-1-pyridin-4-yl-ethanone

Systemtic Name: 2-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)sulfanyl]-1-pyridin-4-yl-ethanone Openeye Name: 2-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)sulfanyl]-1-(4-pyridyl)ethanone CAS Name: 2-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)thio]-1-pyridin-4-ylethanone IUPAC Name: 2-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)sulfanyl]-1-pyridin-4-ylethanone Traditional Name: 2-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)thio]-1-(4-pyridyl)ethanone Formula: C13H15N3O2S MolecularWeight: 277.3421

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NN=C(O1)SCC(=O)C2=CC=NC=C2

Isomeric SMILES

CC(C)(C)C1=NN=C(O1)SCC(=O)C2=CC=NC=C2

InChI

InChI=1S/C13H15N3O2S/c1-13(2,3)11-15-16-12(18-11)19-8-10(17)9-4-6-14-7-5-9/h4-7H,8H2,1-3H3