2,6-ditert-butyl-4-[(E)-[2-[(3-ethyl-1H-benzimidazol-3-ium-2-yl)sulfanyl]ethanoylhydrazinylidene]methyl]phenolate

Systemtic Name: 2,6-ditert-butyl-4-[(E)-[2-[(3-ethyl-1H-benzimidazol-3-ium-2-yl)sulfanyl]ethanoylhydrazinylidene]methyl]phenolate Openeye Name: 2,6-ditert-butyl-4-[(E)-[[2-[(3-ethyl-1H-benzimidazol-3-ium-2-yl)sulfanyl]acetyl]hydrazono]methyl]phenolate CAS Name: 2,6-ditert-butyl-4-[(E)-[[2-[(3-ethyl-1H-benzimidazol-3-ium-2-yl)thio]-1-oxoethyl]hydrazinylidene]methyl]phenolate IUPAC Name: 2,6-ditert-butyl-4-[(E)-[[2-[(3-ethyl-1H-benzimidazol-3-ium-2-yl)sulfanyl]acetyl]hydrazinylidene]methyl]phenolate Traditional Name: 2,6-ditert-butyl-4-[(E)-[[2-[(3-ethyl-1H-benzimidazol-3-ium-2-yl)thio]acetyl]hydrazono]methyl]phenolate Formula: C26H34N4O2S MolecularWeight: 466.63876

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1=C(NC2=CC=CC=C21)SCC(=O)NN=CC3=CC(=C(C(=C3)C(C)(C)C)[O-])C(C)(C)C

Isomeric SMILES

CC[N+]1=C(NC2=CC=CC=C21)SCC(=O)N/N=C/C3=CC(=C(C(=C3)C(C)(C)C)[O-])C(C)(C)C

InChI

InChI=1S/C26H34N4O2S/c1-8-30-21-12-10-9-11-20(21)28-24(30)33-16-22(31)29-27-15-17-13-18(25(2,3)4)23(32)19(14-17)26(5,6)7/h9-15H,8,16H2,1-7H3,(H2,27,29,31,32)