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

Systemtic Name: 4-[(2E)-2-[3-cyano-1-(2-methylphenyl)-5-oxidanylidene-pyrazol-4-ylidene]hydrazinyl]-2-methoxy-5-methyl-benzenesulfonic acid Openeye Name: 4-[(2E)-2-[3-cyano-1-(o-tolyl)-5-oxo-pyrazol-4-ylidene]hydrazino]-2-methoxy-5-methyl-benzenesulfonic acid CAS Name: 4-[(2E)-2-[3-cyano-1-(2-methylphenyl)-5-oxo-4-pyrazolylidene]hydrazinyl]-2-methoxy-5-methylbenzenesulfonic acid IUPAC Name: 4-[(2E)-2-[3-cyano-1-(2-methylphenyl)-5-oxopyrazol-4-ylidene]hydrazinyl]-2-methoxy-5-methylbenzenesulfonic acid Traditional Name: 4-[(N'E)-N'-[3-cyano-5-keto-1-(o-tolyl)-2-pyrazolin-4-ylidene]hydrazino]-2-methoxy-5-methyl-besylic acid Formula: C19H17N5O5S MolecularWeight: 427.43378

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2C(=O)C(=NNC3=CC(=C(C=C3C)S(=O)(=O)O)OC)C(=N2)C#N

Isomeric SMILES

CC1=CC=CC=C1N2C(=O)/C(=N/NC3=CC(=C(C=C3C)S(=O)(=O)O)OC)/C(=N2)C#N

InChI

InChI=1S/C19H17N5O5S/c1-11-6-4-5-7-15(11)24-19(25)18(14(10-20)23-24)22-21-13-9-16(29-3)17(8-12(13)2)30(26,27)28/h4-9,21H,1-3H3,(H,26,27,28)/b22-18+