sodium 4-[(2Z)-2-(3-methyl-5-oxidanylidene-1-phenyl-pyrazol-4-ylidene)hydrazinyl]benzenesulfonate

Systemtic Name: sodium 4-[(2Z)-2-(3-methyl-5-oxidanylidene-1-phenyl-pyrazol-4-ylidene)hydrazinyl]benzenesulfonate Openeye Name: sodium 4-[(2Z)-2-(3-methyl-5-oxo-1-phenyl-pyrazol-4-ylidene)hydrazino]benzenesulfonate CAS Name: sodium 4-[(2Z)-2-(3-methyl-5-oxo-1-phenyl-4-pyrazolylidene)hydrazinyl]benzenesulfonate IUPAC Name: sodium 4-[(2Z)-2-(3-methyl-5-oxo-1-phenylpyrazol-4-ylidene)hydrazinyl]benzenesulfonate Traditional Name: sodium 4-[(N'Z)-N'-(5-keto-3-methyl-1-phenyl-2-pyrazolin-4-ylidene)hydrazino]besylate Formula: C16H13N4NaO4S MolecularWeight: 380.35359

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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