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

Systemtic Name: [2-[(E)-[(5-butyl-4-oxidanylidene-1,3-thiazol-2-yl)hydrazinylidene]methyl]-4-methyl-phenyl] benzenesulfonate Openeye Name: [2-[(E)-[(5-butyl-4-oxo-thiazol-2-yl)hydrazono]methyl]-4-methyl-phenyl] benzenesulfonate CAS Name: benzenesulfonic 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] benzenesulfonate Traditional Name: benzenesulfonic acid [2-[(E)-[(5-butyl-4-keto-2-thiazolin-2-yl)hydrazono]methyl]-4-methyl-phenyl] ester Formula: C21H23N3O4S2 MolecularWeight: 445.55502

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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=CC=C3

Isomeric SMILES

CCCCC1C(=O)N=C(S1)N/N=C/C2=C(C=CC(=C2)C)OS(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C21H23N3O4S2/c1-3-4-10-19-20(25)23-21(29-19)24-22-14-16-13-15(2)11-12-18(16)28-30(26,27)17-8-6-5-7-9-17/h5-9,11-14,19H,3-4,10H2,1-2H3,(H,23,24,25)/b22-14+