[2-[(E)-[(5-butyl-4-oxidanylidene-1,3-thiazol-2-yl)hydrazinylidene]methyl]-4-methyl-phenyl] 4-methyl-3-nitro-benzenesulfonate

Systemtic Name: [2-[(E)-[(5-butyl-4-oxidanylidene-1,3-thiazol-2-yl)hydrazinylidene]methyl]-4-methyl-phenyl] 4-methyl-3-nitro-benzenesulfonate Openeye Name: [2-[(E)-[(5-butyl-4-oxo-thiazol-2-yl)hydrazono]methyl]-4-methyl-phenyl] 4-methyl-3-nitro-benzenesulfonate CAS Name: 4-methyl-3-nitrobenzenesulfonic acid [2-[(E)-[(5-butyl-4-oxo-2-thiazolyl)hydrazinylidene]methyl]-4-methylphenyl] ester IUPAC Name: [2-[(E)-[(5-butyl-4-oxo-1,3-thiazol-2-yl)hydrazinylidene]methyl]-4-methylphenyl] 4-methyl-3-nitrobenzenesulfonate Traditional Name: 4-methyl-3-nitro-benzenesulfonic acid [2-[(E)-[(5-butyl-4-keto-2-thiazolin-2-yl)hydrazono]methyl]-4-methyl-phenyl] ester Formula: C22H24N4O6S2 MolecularWeight: 504.57916

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1C(=O)N=C(S1)NN=CC2=C(C=CC(=C2)C)OS(=O)(=O)C3=CC(=C(C=C3)C)[N+](=O)[O-]

Isomeric SMILES

CCCCC1C(=O)N=C(S1)N/N=C/C2=C(C=CC(=C2)C)OS(=O)(=O)C3=CC(=C(C=C3)C)[N+](=O)[O-]

InChI

InChI=1S/C22H24N4O6S2/c1-4-5-6-20-21(27)24-22(33-20)25-23-13-16-11-14(2)7-10-19(16)32-34(30,31)17-9-8-15(3)18(12-17)26(28)29/h7-13,20H,4-6H2,1-3H3,(H,24,25,27)/b23-13+