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

Systemtic Name: 5-[(2E)-2-(3-cyano-5-oxidanylidene-1-phenyl-pyrazol-4-ylidene)hydrazinyl]-2-(1-methoxyethoxy)benzenesulfonic acid Openeye Name: 5-[(2E)-2-(3-cyano-5-oxo-1-phenyl-pyrazol-4-ylidene)hydrazino]-2-(1-methoxyethoxy)benzenesulfonic acid CAS Name: 5-[(2E)-2-(3-cyano-5-oxo-1-phenyl-4-pyrazolylidene)hydrazinyl]-2-(1-methoxyethoxy)benzenesulfonic acid IUPAC Name: 5-[(2E)-2-(3-cyano-5-oxo-1-phenylpyrazol-4-ylidene)hydrazinyl]-2-(1-methoxyethoxy)benzenesulfonic acid Traditional Name: 5-[(N'E)-N'-(3-cyano-5-keto-1-phenyl-2-pyrazolin-4-ylidene)hydrazino]-2-(1-methoxyethoxy)besylic acid Formula: C19H17N5O6S MolecularWeight: 443.43318

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Descriptors Computed from Structure

Canonical SMILES:

CC(OC)OC1=C(C=C(C=C1)NN=C2C(=NN(C2=O)C3=CC=CC=C3)C#N)S(=O)(=O)O

Isomeric SMILES

CC(OC)OC1=C(C=C(C=C1)N/N=C/2\C(=NN(C2=O)C3=CC=CC=C3)C#N)S(=O)(=O)O

InChI

InChI=1S/C19H17N5O6S/c1-12(29-2)30-16-9-8-13(10-17(16)31(26,27)28)21-22-18-15(11-20)23-24(19(18)25)14-6-4-3-5-7-14/h3-10,12,21H,1-2H3,(H,26,27,28)/b22-18+