sodium 4-[(4Z)-3-methyl-4-[(3-methyl-1,2,4-thiadiazol-5-yl)hydrazinylidene]-5-oxidanylidene-pyrazol-1-yl]benzenesulfonate

Systemtic Name: sodium 4-[(4Z)-3-methyl-4-[(3-methyl-1,2,4-thiadiazol-5-yl)hydrazinylidene]-5-oxidanylidene-pyrazol-1-yl]benzenesulfonate Openeye Name: sodium 4-[(4Z)-3-methyl-4-[(3-methyl-1,2,4-thiadiazol-5-yl)hydrazono]-5-oxo-pyrazol-1-yl]benzenesulfonate CAS Name: sodium 4-[(4Z)-3-methyl-4-[(3-methyl-1,2,4-thiadiazol-5-yl)hydrazinylidene]-5-oxo-1-pyrazolyl]benzenesulfonate IUPAC Name: sodium 4-[(4Z)-3-methyl-4-[(3-methyl-1,2,4-thiadiazol-5-yl)hydrazinylidene]-5-oxopyrazol-1-yl]benzenesulfonate Traditional Name: sodium 4-[(4Z)-5-keto-3-methyl-4-[(3-methyl-1,2,4-thiadiazol-5-yl)hydrazono]-2-pyrazolin-1-yl]besylate Formula: C13H11N6NaO4S2 MolecularWeight: 402.38401

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1=NNC2=NC(=NS2)C)C3=CC=C(C=C3)S(=O)(=O)[O-].[Na+]

Isomeric SMILES

CC\1=NN(C(=O)/C1=N\NC2=NC(=NS2)C)C3=CC=C(C=C3)S(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C13H12N6O4S2.Na/c1-7-11(15-16-13-14-8(2)18-24-13)12(20)19(17-7)9-3-5-10(6-4-9)25(21,22)23;/h3-6H,1-2H3,(H,14,16,18)(H,21,22,23);/q;+1/p-1/b15-11-;