2-(2,1,3-benzoxadiazol-5-ylcarbonyl)-N-[2-(4-chlorophenyl)ethyl]pyrazolidine-1-carbothioamide

Systemtic Name: 2-(2,1,3-benzoxadiazol-5-ylcarbonyl)-N-[2-(4-chlorophenyl)ethyl]pyrazolidine-1-carbothioamide Openeye Name: 2-(2,1,3-benzoxadiazole-5-carbonyl)-N-[2-(4-chlorophenyl)ethyl]pyrazolidine-1-carbothioamide CAS Name: 2-[2,1,3-benzoxadiazol-5-yl(oxo)methyl]-N-[2-(4-chlorophenyl)ethyl]-1-pyrazolidinecarbothioamide IUPAC Name: 2-(2,1,3-benzoxadiazole-5-carbonyl)-N-[2-(4-chlorophenyl)ethyl]pyrazolidine-1-carbothioamide Traditional Name: 2-(benzofurazan-5-carbonyl)-N-[2-(4-chlorophenyl)ethyl]pyrazolidine-1-carbothioamide Formula: C19H18ClN5O2S MolecularWeight: 415.89652

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(N(C1)C(=S)NCCC2=CC=C(C=C2)Cl)C(=O)C3=CC4=NON=C4C=C3

Isomeric SMILES

C1CN(N(C1)C(=S)NCCC2=CC=C(C=C2)Cl)C(=O)C3=CC4=NON=C4C=C3

InChI

InChI=1S/C19H18ClN5O2S/c20-15-5-2-13(3-6-15)8-9-21-19(28)25-11-1-10-24(25)18(26)14-4-7-16-17(12-14)23-27-22-16/h2-7,12H,1,8-11H2,(H,21,28)