N-(furan-2-ylmethyl)-2-(2-methylsulfonylphenyl)carbonyl-pyrazolidine-1-carbothioamide

Systemtic Name: N-(furan-2-ylmethyl)-2-(2-methylsulfonylphenyl)carbonyl-pyrazolidine-1-carbothioamide Openeye Name: N-(2-furylmethyl)-2-(2-methylsulfonylbenzoyl)pyrazolidine-1-carbothioamide CAS Name: N-(2-furanylmethyl)-2-[(2-methylsulfonylphenyl)-oxomethyl]-1-pyrazolidinecarbothioamide IUPAC Name: N-(furan-2-ylmethyl)-2-(2-methylsulfonylbenzoyl)pyrazolidine-1-carbothioamide Traditional Name: N-(2-furfuryl)-2-(2-mesylbenzoyl)pyrazolidine-1-carbothioamide Formula: C17H19N3O4S2 MolecularWeight: 393.48046

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=CC=C1C(=O)N2CCCN2C(=S)NCC3=CC=CO3

Isomeric SMILES

CS(=O)(=O)C1=CC=CC=C1C(=O)N2CCCN2C(=S)NCC3=CC=CO3

InChI

InChI=1S/C17H19N3O4S2/c1-26(22,23)15-8-3-2-7-14(15)16(21)19-9-5-10-20(19)17(25)18-12-13-6-4-11-24-13/h2-4,6-8,11H,5,9-10,12H2,1H3,(H,18,25)