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

Systemtic Name: N'-[(3-bromanyl-5-methoxy-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)methyl]-2-[(3-methyl-1H-benzimidazol-3-ium-2-yl)sulfanyl]ethanehydrazide Openeye Name: N'-[(3-bromo-5-methoxy-4-oxo-cyclohexa-2,5-dien-1-ylidene)methyl]-2-[(3-methyl-1H-benzimidazol-3-ium-2-yl)sulfanyl]acetohydrazide CAS Name: N'-[(3-bromo-5-methoxy-4-oxo-1-cyclohexa-2,5-dienylidene)methyl]-2-[(3-methyl-1H-benzimidazol-3-ium-2-yl)thio]acetohydrazide IUPAC Name: N'-[(3-bromo-5-methoxy-4-oxocyclohexa-2,5-dien-1-ylidene)methyl]-2-[(3-methyl-1H-benzimidazol-3-ium-2-yl)sulfanyl]acetohydrazide Traditional Name: N'-[(3-bromo-4-keto-5-methoxy-cyclohexa-2,5-dien-1-ylidene)methyl]-2-[(3-methyl-1H-benzimidazol-3-ium-2-yl)thio]acetohydrazide Formula: C18H18BrN4O3S+ MolecularWeight: 450.32952

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H17BrN4O3S/c1-23-14-6-4-3-5-13(14)21-18(23)27-10-16(24)22-20-9-11-7-12(19)17(25)15(8-11)26-2/h3-9H,10H2,1-2H3,(H2,20,22,24,25)/p+1