disodium (4E)-4-[[4-[(6-chloranyl-5-methyl-2-methylsulfonyl-pyrimidin-4-yl)amino]-2-oxidanidylperoxysulfanyl-phenyl]hydrazinylidene]-5-methyl-2-(4-oxidanidylperoxysulfanylphenyl)pyrazol-3-one

Systemtic Name: disodium (4E)-4-[[4-[(6-chloranyl-5-methyl-2-methylsulfonyl-pyrimidin-4-yl)amino]-2-oxidanidylperoxysulfanyl-phenyl]hydrazinylidene]-5-methyl-2-(4-oxidanidylperoxysulfanylphenyl)pyrazol-3-one Openeye Name: disodium (4E)-4-[[4-[(6-chloro-5-methyl-2-methylsulfonyl-pyrimidin-4-yl)amino]-2-oxidoperoxysulfanyl-phenyl]hydrazono]-5-methyl-2-(4-oxidoperoxysulfanylphenyl)pyrazol-3-one CAS Name: disodium 5-[(6-chloro-5-methyl-2-methylsulfonyl-4-pyrimidinyl)amino]-2-[(2E)-2-[3-methyl-1-[4-(oxidodioxythio)phenyl]-5-oxo-4-pyrazolylidene]hydrazinyl]benzenesulfenic acid oxidooxy ester IUPAC Name: disodium (4E)-4-[[4-[(6-chloro-5-methyl-2-methylsulfonylpyrimidin-4-yl)amino]-2-oxidoperoxysulfanylphenyl]hydrazinylidene]-5-methyl-2-(4-oxidoperoxysulfanylphenyl)pyrazol-3-one Traditional Name: disodium (4E)-4-[[4-[(6-chloro-2-mesyl-5-methyl-pyrimidin-4-yl)amino]-2-(oxidoperoxythio)phenyl]hydrazono]-5-methyl-2-[4-(oxidoperoxythio)phenyl]-2-pyrazolin-3-one Formula: C22H18ClN7Na2O9S3 MolecularWeight: 702.04736

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(N=C1Cl)S(=O)(=O)C)NC2=CC(=C(C=C2)NN=C3C(=NN(C3=O)C4=CC=C(C=C4)SOO[O-])C)SOO[O-].[Na+].[Na+]

Isomeric SMILES

CC1=C(N=C(N=C1Cl)S(=O)(=O)C)NC2=CC(=C(C=C2)N/N=C/3\C(=NN(C3=O)C4=CC=C(C=C4)SOO[O-])C)SOO[O-].[Na+].[Na+]

InChI

InChI=1S/C22H20ClN7O9S3.2Na/c1-11-19(23)25-22(42(3,34)35)26-20(11)24-13-4-9-16(17(10-13)41-39-37-33)27-28-18-12(2)29-30(21(18)31)14-5-7-15(8-6-14)40-38-36-32;;/h4-10,27,32-33H,1-3H3,(H,24,25,26);;/q;2*+1/p-2/b28-18+;;