2-[2-(4-methylsulfonylphenyl)ethanoyl]-N-(pyridin-3-ylmethyl)pyrazolidine-1-carbothioamide

Systemtic Name: 2-[2-(4-methylsulfonylphenyl)ethanoyl]-N-(pyridin-3-ylmethyl)pyrazolidine-1-carbothioamide Openeye Name: 2-[2-(4-methylsulfonylphenyl)acetyl]-N-(3-pyridylmethyl)pyrazolidine-1-carbothioamide CAS Name: 2-[2-(4-methylsulfonylphenyl)-1-oxoethyl]-N-(3-pyridinylmethyl)-1-pyrazolidinecarbothioamide IUPAC Name: 2-[2-(4-methylsulfonylphenyl)acetyl]-N-(pyridin-3-ylmethyl)pyrazolidine-1-carbothioamide Traditional Name: 2-[2-(4-mesylphenyl)acetyl]-N-(3-pyridylmethyl)pyrazolidine-1-carbothioamide Formula: C19H22N4O3S2 MolecularWeight: 418.53298

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H22N4O3S2/c1-28(25,26)17-7-5-15(6-8-17)12-18(24)22-10-3-11-23(22)19(27)21-14-16-4-2-9-20-13-16/h2,4-9,13H,3,10-12,14H2,1H3,(H,21,27)