4-[(2E)-2-(1-carbamothioyl-5-oxidanylidene-3-phenyl-pyrazol-4-ylidene)hydrazinyl]benzenesulfonate

Systemtic Name: 4-[(2E)-2-(1-carbamothioyl-5-oxidanylidene-3-phenyl-pyrazol-4-ylidene)hydrazinyl]benzenesulfonate Openeye Name: 4-[(2E)-2-(1-carbamothioyl-5-oxo-3-phenyl-pyrazol-4-ylidene)hydrazino]benzenesulfonate CAS Name: 4-[(2E)-2-(1-carbamothioyl-5-oxo-3-phenyl-4-pyrazolylidene)hydrazinyl]benzenesulfonate IUPAC Name: 4-[(2E)-2-(1-carbamothioyl-5-oxo-3-phenylpyrazol-4-ylidene)hydrazinyl]benzenesulfonate Traditional Name: 4-[(N'E)-N'-(5-keto-3-phenyl-1-thiocarbamoyl-2-pyrazolin-4-ylidene)hydrazino]besylate Formula: C16H12N5O4S2- MolecularWeight: 402.42758

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NN(C(=O)C2=NNC3=CC=C(C=C3)S(=O)(=O)[O-])C(=S)N

Isomeric SMILES

C1=CC=C(C=C1)C\2=NN(C(=O)/C2=N/NC3=CC=C(C=C3)S(=O)(=O)[O-])C(=S)N

InChI

InChI=1S/C16H13N5O4S2/c17-16(26)21-15(22)14(13(20-21)10-4-2-1-3-5-10)19-18-11-6-8-12(9-7-11)27(23,24)25/h1-9,18H,(H2,17,26)(H,23,24,25)/p-1/b19-14+