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

Systemtic Name: N-ethyl-2-(2-methylsulfonylphenyl)carbonyl-pyrazolidine-1-carbothioamide Openeye Name: N-ethyl-2-(2-methylsulfonylbenzoyl)pyrazolidine-1-carbothioamide CAS Name: N-ethyl-2-[(2-methylsulfonylphenyl)-oxomethyl]-1-pyrazolidinecarbothioamide IUPAC Name: N-ethyl-2-(2-methylsulfonylbenzoyl)pyrazolidine-1-carbothioamide Traditional Name: N-ethyl-2-(2-mesylbenzoyl)pyrazolidine-1-carbothioamide Formula: C14H19N3O3S2 MolecularWeight: 341.44896

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H19N3O3S2/c1-3-15-14(21)17-10-6-9-16(17)13(18)11-7-4-5-8-12(11)22(2,19)20/h4-5,7-8H,3,6,9-10H2,1-2H3,(H,15,21)