3-[(5-chloranyl-1,3-dimethyl-pyrazol-4-yl)-(3-oxidanidyl-3-oxidanylidene-propyl)sulfanyl-methyl]sulfanylpropanoate

Systemtic Name: 3-[(5-chloranyl-1,3-dimethyl-pyrazol-4-yl)-(3-oxidanidyl-3-oxidanylidene-propyl)sulfanyl-methyl]sulfanylpropanoate Openeye Name: 3-[(5-chloro-1,3-dimethyl-pyrazol-4-yl)-(3-oxido-3-oxo-propyl)sulfanyl-methyl]sulfanylpropanoate CAS Name: 3-[[(5-chloro-1,3-dimethyl-4-pyrazolyl)-[(3-oxido-3-oxopropyl)thio]methyl]thio]propanoate IUPAC Name: 3-[(5-chloro-1,3-dimethylpyrazol-4-yl)-(3-oxido-3-oxopropyl)sulfanylmethyl]sulfanylpropanoate Traditional Name: 3-[[(5-chloro-1,3-dimethyl-pyrazol-4-yl)-[(3-keto-3-oxido-propyl)thio]methyl]thio]propionate Formula: C12H15ClN2O4S2-2 MolecularWeight: 350.8415

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C(SCCC(=O)[O-])SCCC(=O)[O-])Cl)C

Isomeric SMILES

CC1=NN(C(=C1C(SCCC(=O)[O-])SCCC(=O)[O-])Cl)C

InChI

InChI=1S/C12H17ClN2O4S2/c1-7-10(11(13)15(2)14-7)12(20-5-3-8(16)17)21-6-4-9(18)19/h12H,3-6H2,1-2H3,(H,16,17)(H,18,19)/p-2