sodium 4-[(4Z)-3-methyl-5-oxidanylidene-4-(phenylhydrazinylidene)pyrazol-1-yl]benzenesulfonate

Systemtic Name: sodium 4-[(4Z)-3-methyl-5-oxidanylidene-4-(phenylhydrazinylidene)pyrazol-1-yl]benzenesulfonate Openeye Name: sodium 4-[(4Z)-3-methyl-5-oxo-4-(phenylhydrazono)pyrazol-1-yl]benzenesulfonate CAS Name: sodium 4-[(4Z)-3-methyl-5-oxo-4-(phenylhydrazinylidene)-1-pyrazolyl]benzenesulfonate IUPAC Name: sodium 4-[(4Z)-3-methyl-5-oxo-4-(phenylhydrazinylidene)pyrazol-1-yl]benzenesulfonate Traditional Name: sodium 4-[(4Z)-5-keto-3-methyl-4-(phenylhydrazono)-2-pyrazolin-1-yl]besylate Formula: C16H13N4NaO4S MolecularWeight: 380.35359

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1=NNC2=CC=CC=C2)C3=CC=C(C=C3)S(=O)(=O)[O-].[Na+]

Isomeric SMILES

CC\1=NN(C(=O)/C1=N\NC2=CC=CC=C2)C3=CC=C(C=C3)S(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C16H14N4O4S.Na/c1-11-15(18-17-12-5-3-2-4-6-12)16(21)20(19-11)13-7-9-14(10-8-13)25(22,23)24;/h2-10,17H,1H3,(H,22,23,24);/q;+1/p-1/b18-15-;