2-(2-methylsulfonylphenyl)carbonyl-N-(pyridin-3-ylmethyl)pyrazolidine-1-carbothioamide

Systemtic Name: 2-(2-methylsulfonylphenyl)carbonyl-N-(pyridin-3-ylmethyl)pyrazolidine-1-carbothioamide Openeye Name: 2-(2-methylsulfonylbenzoyl)-N-(3-pyridylmethyl)pyrazolidine-1-carbothioamide CAS Name: 2-[(2-methylsulfonylphenyl)-oxomethyl]-N-(3-pyridinylmethyl)-1-pyrazolidinecarbothioamide IUPAC Name: 2-(2-methylsulfonylbenzoyl)-N-(pyridin-3-ylmethyl)pyrazolidine-1-carbothioamide Traditional Name: 2-(2-mesylbenzoyl)-N-(3-pyridylmethyl)pyrazolidine-1-carbothioamide Formula: C18H20N4O3S2 MolecularWeight: 404.5064

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=CC=C1C(=O)N2CCCN2C(=S)NCC3=CN=CC=C3

Isomeric SMILES

CS(=O)(=O)C1=CC=CC=C1C(=O)N2CCCN2C(=S)NCC3=CN=CC=C3

InChI

InChI=1S/C18H20N4O3S2/c1-27(24,25)16-8-3-2-7-15(16)17(23)21-10-5-11-22(21)18(26)20-13-14-6-4-9-19-12-14/h2-4,6-9,12H,5,10-11,13H2,1H3,(H,20,26)