4-[(2E)-2-[3-cyano-1-(2-methylphenyl)-5-oxidanylidene-pyrazol-4-ylidene]hydrazinyl]-2,5-dimethyl-benzenesulfonic acid

Systemtic Name: 4-[(2E)-2-[3-cyano-1-(2-methylphenyl)-5-oxidanylidene-pyrazol-4-ylidene]hydrazinyl]-2,5-dimethyl-benzenesulfonic acid Openeye Name: 4-[(2E)-2-[3-cyano-1-(o-tolyl)-5-oxo-pyrazol-4-ylidene]hydrazino]-2,5-dimethyl-benzenesulfonic acid CAS Name: 4-[(2E)-2-[3-cyano-1-(2-methylphenyl)-5-oxo-4-pyrazolylidene]hydrazinyl]-2,5-dimethylbenzenesulfonic acid IUPAC Name: 4-[(2E)-2-[3-cyano-1-(2-methylphenyl)-5-oxopyrazol-4-ylidene]hydrazinyl]-2,5-dimethylbenzenesulfonic acid Traditional Name: 4-[(N'E)-N'-[3-cyano-5-keto-1-(o-tolyl)-2-pyrazolin-4-ylidene]hydrazino]-2,5-dimethyl-besylic acid Formula: C19H17N5O4S MolecularWeight: 411.43438

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2C(=O)C(=NNC3=C(C=C(C(=C3)C)S(=O)(=O)O)C)C(=N2)C#N

Isomeric SMILES

CC1=CC=CC=C1N2C(=O)/C(=N/NC3=C(C=C(C(=C3)C)S(=O)(=O)O)C)/C(=N2)C#N

InChI

InChI=1S/C19H17N5O4S/c1-11-6-4-5-7-16(11)24-19(25)18(15(10-20)23-24)22-21-14-8-13(3)17(9-12(14)2)29(26,27)28/h4-9,21H,1-3H3,(H,26,27,28)/b22-18+