sodium 5-[(E)-[(3-phenyl-1H-pyrazol-5-yl)carbonylhydrazinylidene]methyl]furan-2-sulfonate

Systemtic Name: sodium 5-[(E)-[(3-phenyl-1H-pyrazol-5-yl)carbonylhydrazinylidene]methyl]furan-2-sulfonate Openeye Name: sodium 5-[(E)-[(3-phenyl-1H-pyrazole-5-carbonyl)hydrazono]methyl]furan-2-sulfonate CAS Name: sodium 5-[(E)-[[oxo-(3-phenyl-1H-pyrazol-5-yl)methyl]hydrazinylidene]methyl]-2-furansulfonate IUPAC Name: sodium 5-[(E)-[(3-phenyl-1H-pyrazole-5-carbonyl)hydrazinylidene]methyl]furan-2-sulfonate Traditional Name: sodium 5-[(E)-[(3-phenyl-1H-pyrazole-5-carbonyl)hydrazono]methyl]furan-2-sulfonate Formula: C15H11N4NaO5S MolecularWeight: 382.32641

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NNC(=C2)C(=O)NN=CC3=CC=C(O3)S(=O)(=O)[O-].[Na+]

Isomeric SMILES

C1=CC=C(C=C1)C2=NNC(=C2)C(=O)N/N=C/C3=CC=C(O3)S(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C15H12N4O5S.Na/c20-15(13-8-12(17-18-13)10-4-2-1-3-5-10)19-16-9-11-6-7-14(24-11)25(21,22)23;/h1-9H,(H,17,18)(H,19,20)(H,21,22,23);/q;+1/p-1/b16-9+;