2,2-dimethylpropyl 4-[4-(5-methylsulfanyl-1,2,4-oxadiazol-3-yl)pyridin-2-yl]piperazine-1-carboxylate

Systemtic Name: 2,2-dimethylpropyl 4-[4-(5-methylsulfanyl-1,2,4-oxadiazol-3-yl)pyridin-2-yl]piperazine-1-carboxylate Openeye Name: 2,2-dimethylpropyl 4-[4-(5-methylsulfanyl-1,2,4-oxadiazol-3-yl)-2-pyridyl]piperazine-1-carboxylate CAS Name: 4-[4-[5-(methylthio)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]-1-piperazinecarboxylic acid 2,2-dimethylpropyl ester IUPAC Name: 2,2-dimethylpropyl 4-[4-(5-methylsulfanyl-1,2,4-oxadiazol-3-yl)pyridin-2-yl]piperazine-1-carboxylate Traditional Name: 4-[4-[5-(methylthio)-1,2,4-oxadiazol-3-yl]-2-pyridyl]piperazine-1-carboxylic acid neopentyl ester Formula: C18H25N5O3S MolecularWeight: 391.4878

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)COC(=O)N1CCN(CC1)C2=NC=CC(=C2)C3=NOC(=N3)SC

Isomeric SMILES

CC(C)(C)COC(=O)N1CCN(CC1)C2=NC=CC(=C2)C3=NOC(=N3)SC

InChI

InChI=1S/C18H25N5O3S/c1-18(2,3)12-25-17(24)23-9-7-22(8-10-23)14-11-13(5-6-19-14)15-20-16(27-4)26-21-15/h5-6,11H,7-10,12H2,1-4H3