1-[2-(2,1,3-benzoxadiazol-5-ylcarbonyl)pyrazolidin-1-yl]-2-ethylsulfanyl-ethanone

Systemtic Name: 1-[2-(2,1,3-benzoxadiazol-5-ylcarbonyl)pyrazolidin-1-yl]-2-ethylsulfanyl-ethanone Openeye Name: 1-[2-(2,1,3-benzoxadiazole-5-carbonyl)pyrazolidin-1-yl]-2-ethylsulfanyl-ethanone CAS Name: 1-[2-[2,1,3-benzoxadiazol-5-yl(oxo)methyl]-1-pyrazolidinyl]-2-(ethylthio)ethanone IUPAC Name: 1-[2-(2,1,3-benzoxadiazole-5-carbonyl)pyrazolidin-1-yl]-2-ethylsulfanylethanone Traditional Name: 1-[2-(benzofurazan-5-carbonyl)pyrazolidin-1-yl]-2-(ethylthio)ethanone Formula: C14H16N4O3S MolecularWeight: 320.36684

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCSCC(=O)N1CCCN1C(=O)C2=CC3=NON=C3C=C2

Isomeric SMILES

CCSCC(=O)N1CCCN1C(=O)C2=CC3=NON=C3C=C2

InChI

InChI=1S/C14H16N4O3S/c1-2-22-9-13(19)17-6-3-7-18(17)14(20)10-4-5-11-12(8-10)16-21-15-11/h4-5,8H,2-3,6-7,9H2,1H3