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

Systemtic Name: 2-(2,1,3-benzoxadiazol-5-ylcarbonyl)-N-(pyridin-3-ylmethyl)pyrazolidine-1-carbothioamide Openeye Name: 2-(2,1,3-benzoxadiazole-5-carbonyl)-N-(3-pyridylmethyl)pyrazolidine-1-carbothioamide CAS Name: 2-[2,1,3-benzoxadiazol-5-yl(oxo)methyl]-N-(3-pyridinylmethyl)-1-pyrazolidinecarbothioamide IUPAC Name: 2-(2,1,3-benzoxadiazole-5-carbonyl)-N-(pyridin-3-ylmethyl)pyrazolidine-1-carbothioamide Traditional Name: 2-(benzofurazan-5-carbonyl)-N-(3-pyridylmethyl)pyrazolidine-1-carbothioamide Formula: C17H16N6O2S MolecularWeight: 368.41294

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(N(C1)C(=S)NCC2=CN=CC=C2)C(=O)C3=CC4=NON=C4C=C3

Isomeric SMILES

C1CN(N(C1)C(=S)NCC2=CN=CC=C2)C(=O)C3=CC4=NON=C4C=C3

InChI

InChI=1S/C17H16N6O2S/c24-16(13-4-5-14-15(9-13)21-25-20-14)22-7-2-8-23(22)17(26)19-11-12-3-1-6-18-10-12/h1,3-6,9-10H,2,7-8,11H2,(H,19,26)