2-(2,1,3-benzoxadiazol-5-ylcarbonyl)-N-methyl-pyrazolidine-1-carbothioamide

Systemtic Name: 2-(2,1,3-benzoxadiazol-5-ylcarbonyl)-N-methyl-pyrazolidine-1-carbothioamide Openeye Name: 2-(2,1,3-benzoxadiazole-5-carbonyl)-N-methyl-pyrazolidine-1-carbothioamide CAS Name: 2-[2,1,3-benzoxadiazol-5-yl(oxo)methyl]-N-methyl-1-pyrazolidinecarbothioamide IUPAC Name: 2-(2,1,3-benzoxadiazole-5-carbonyl)-N-methylpyrazolidine-1-carbothioamide Traditional Name: 2-(benzofurazan-5-carbonyl)-N-methyl-pyrazolidine-1-carbothioamide Formula: C12H13N5O2S MolecularWeight: 291.32892

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=S)N1CCCN1C(=O)C2=CC3=NON=C3C=C2

Isomeric SMILES

CNC(=S)N1CCCN1C(=O)C2=CC3=NON=C3C=C2

InChI

InChI=1S/C12H13N5O2S/c1-13-12(20)17-6-2-5-16(17)11(18)8-3-4-9-10(7-8)15-19-14-9/h3-4,7H,2,5-6H2,1H3,(H,13,20)