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

Systemtic Name: [4-methyl-2-[(E)-[(4-oxidanylidene-5-propyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenyl] 4-methyl-3-nitro-benzenesulfonate Openeye Name: [4-methyl-2-[(E)-[(4-oxo-5-propyl-thiazol-2-yl)hydrazono]methyl]phenyl] 4-methyl-3-nitro-benzenesulfonate CAS Name: 4-methyl-3-nitrobenzenesulfonic acid [4-methyl-2-[(E)-[(4-oxo-5-propyl-2-thiazolyl)hydrazinylidene]methyl]phenyl] ester IUPAC Name: [4-methyl-2-[(E)-[(4-oxo-5-propyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenyl] 4-methyl-3-nitrobenzenesulfonate Traditional Name: 4-methyl-3-nitro-benzenesulfonic acid [2-[(E)-[(4-keto-5-propyl-2-thiazolin-2-yl)hydrazono]methyl]-4-methyl-phenyl] ester Formula: C21H22N4O6S2 MolecularWeight: 490.55258

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1C(=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

CCCC1C(=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/C21H22N4O6S2/c1-4-5-19-20(26)23-21(32-19)24-22-12-15-10-13(2)6-9-18(15)31-33(29,30)16-8-7-14(3)17(11-16)25(27)28/h6-12,19H,4-5H2,1-3H3,(H,23,24,26)/b22-12+