N-methyl-2-(2-methylsulfonylphenyl)carbonyl-pyrazolidine-1-carbothioamide

Systemtic Name: N-methyl-2-(2-methylsulfonylphenyl)carbonyl-pyrazolidine-1-carbothioamide Openeye Name: N-methyl-2-(2-methylsulfonylbenzoyl)pyrazolidine-1-carbothioamide CAS Name: N-methyl-2-[(2-methylsulfonylphenyl)-oxomethyl]-1-pyrazolidinecarbothioamide IUPAC Name: N-methyl-2-(2-methylsulfonylbenzoyl)pyrazolidine-1-carbothioamide Traditional Name: 2-(2-mesylbenzoyl)-N-methyl-pyrazolidine-1-carbothioamide Formula: C13H17N3O3S2 MolecularWeight: 327.42238

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=S)N1CCCN1C(=O)C2=CC=CC=C2S(=O)(=O)C

Isomeric SMILES

CNC(=S)N1CCCN1C(=O)C2=CC=CC=C2S(=O)(=O)C

InChI

InChI=1S/C13H17N3O3S2/c1-14-13(20)16-9-5-8-15(16)12(17)10-6-3-4-7-11(10)21(2,18)19/h3-4,6-7H,5,8-9H2,1-2H3,(H,14,20)