[2-[2-(2-methylsulfonylphenyl)carbonylpyrazolidin-1-yl]-2-oxidanylidene-ethyl] N,N-dimethylcarbamodithioate

Systemtic Name: [2-[2-(2-methylsulfonylphenyl)carbonylpyrazolidin-1-yl]-2-oxidanylidene-ethyl] N,N-dimethylcarbamodithioate Openeye Name: [2-[2-(2-methylsulfonylbenzoyl)pyrazolidin-1-yl]-2-oxo-ethyl] N,N-dimethylcarbamodithioate CAS Name: N,N-dimethylcarbamodithioic acid [2-[2-[(2-methylsulfonylphenyl)-oxomethyl]-1-pyrazolidinyl]-2-oxoethyl] ester IUPAC Name: [2-[2-(2-methylsulfonylbenzoyl)pyrazolidin-1-yl]-2-oxoethyl] N,N-dimethylcarbamodithioate Traditional Name: N,N-dimethylcarbamodithioic acid [2-keto-2-[2-(2-mesylbenzoyl)pyrazolidin-1-yl]ethyl] ester Formula: C16H21N3O4S3 MolecularWeight: 415.55064

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(=S)SCC(=O)N1CCCN1C(=O)C2=CC=CC=C2S(=O)(=O)C

Isomeric SMILES

CN(C)C(=S)SCC(=O)N1CCCN1C(=O)C2=CC=CC=C2S(=O)(=O)C

InChI

InChI=1S/C16H21N3O4S3/c1-17(2)16(24)25-11-14(20)18-9-6-10-19(18)15(21)12-7-4-5-8-13(12)26(3,22)23/h4-5,7-8H,6,9-11H2,1-3H3