(3-chlorophenyl)methyl N-methyl-3-oxidanylidene-pyrazolidin-1-ium-1-carboximidothioate chloride

Systemtic Name: (3-chlorophenyl)methyl N-methyl-3-oxidanylidene-pyrazolidin-1-ium-1-carboximidothioate chloride Openeye Name: (3-chlorophenyl)methyl N-methyl-3-oxo-pyrazolidin-1-ium-1-carboximidothioate chloride CAS Name: N-methyl-3-oxo-1-pyrazolidin-1-iumcarboximidothioic acid (3-chlorophenyl)methyl ester chloride IUPAC Name: (3-chlorophenyl)methyl N-methyl-3-oxopyrazolidin-1-ium-1-carboximidothioate chloride Traditional Name: 3-keto-N-methyl-pyrazolidin-1-ium-1-carboximidothioic acid (3-chlorobenzyl) ester chloride Formula: C12H15Cl2N3OS MolecularWeight: 320.238

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Descriptors Computed from Structure

Canonical SMILES:

CN=C([NH+]1CCC(=O)N1)SCC2=CC(=CC=C2)Cl.[Cl-]

Isomeric SMILES

CN=C([NH+]1CCC(=O)N1)SCC2=CC(=CC=C2)Cl.[Cl-]

InChI

InChI=1S/C12H14ClN3OS.ClH/c1-14-12(16-6-5-11(17)15-16)18-8-9-3-2-4-10(13)7-9;/h2-4,7H,5-6,8H2,1H3,(H,15,17);1H