N'-[(3,5-ditert-butyl-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)methyl]-2-[(3-ethyl-1H-benzimidazol-3-ium-2-yl)sulfanyl]ethanehydrazide

Systemtic Name: N'-[(3,5-ditert-butyl-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)methyl]-2-[(3-ethyl-1H-benzimidazol-3-ium-2-yl)sulfanyl]ethanehydrazide Openeye Name: N'-[(3,5-ditert-butyl-4-oxo-cyclohexa-2,5-dien-1-ylidene)methyl]-2-[(3-ethyl-1H-benzimidazol-3-ium-2-yl)sulfanyl]acetohydrazide CAS Name: N'-[(3,5-ditert-butyl-4-oxo-1-cyclohexa-2,5-dienylidene)methyl]-2-[(3-ethyl-1H-benzimidazol-3-ium-2-yl)thio]acetohydrazide IUPAC Name: N'-[(3,5-ditert-butyl-4-oxocyclohexa-2,5-dien-1-ylidene)methyl]-2-[(3-ethyl-1H-benzimidazol-3-ium-2-yl)sulfanyl]acetohydrazide Traditional Name: N'-[(3,5-ditert-butyl-4-keto-cyclohexa-2,5-dien-1-ylidene)methyl]-2-[(3-ethyl-1H-benzimidazol-3-ium-2-yl)thio]acetohydrazide Formula: C26H35N4O2S+ MolecularWeight: 467.6467

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1=C(NC2=CC=CC=C21)SCC(=O)NNC=C3C=C(C(=O)C(=C3)C(C)(C)C)C(C)(C)C

Isomeric SMILES

CC[N+]1=C(NC2=CC=CC=C21)SCC(=O)NNC=C3C=C(C(=O)C(=C3)C(C)(C)C)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)/p+1