3-[2-(3-acetamido-5-oxidanylidene-1-phenyl-pyrazol-4-ylidene)hydrazinyl]benzenesulfonic acid

Systemtic Name: 3-[2-(3-acetamido-5-oxidanylidene-1-phenyl-pyrazol-4-ylidene)hydrazinyl]benzenesulfonic acid Openeye Name: 3-[2-(3-acetamido-5-oxo-1-phenyl-pyrazol-4-ylidene)hydrazino]benzenesulfonic acid CAS Name: 3-[2-(3-acetamido-5-oxo-1-phenyl-4-pyrazolylidene)hydrazinyl]benzenesulfonic acid IUPAC Name: 3-[2-(3-acetamido-5-oxo-1-phenylpyrazol-4-ylidene)hydrazinyl]benzenesulfonic acid Traditional Name: 3-[N'-(3-acetamido-5-keto-1-phenyl-2-pyrazolin-4-ylidene)hydrazino]besylic acid Formula: C17H15N5O5S MolecularWeight: 401.3965

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=NN(C(=O)C1=NNC2=CC(=CC=C2)S(=O)(=O)O)C3=CC=CC=C3

Isomeric SMILES

CC(=O)NC1=NN(C(=O)C1=NNC2=CC(=CC=C2)S(=O)(=O)O)C3=CC=CC=C3

InChI

InChI=1S/C17H15N5O5S/c1-11(23)18-16-15(17(24)22(21-16)13-7-3-2-4-8-13)20-19-12-6-5-9-14(10-12)28(25,26)27/h2-10,19H,1H3,(H,18,21,23)(H,25,26,27)