2-bromanyl-6-methoxy-4-[(E)-[2-[(3-methyl-1H-benzimidazol-3-ium-2-yl)sulfanyl]ethanoylhydrazinylidene]methyl]phenolate

Systemtic Name: 2-bromanyl-6-methoxy-4-[(E)-[2-[(3-methyl-1H-benzimidazol-3-ium-2-yl)sulfanyl]ethanoylhydrazinylidene]methyl]phenolate Openeye Name: 2-bromo-6-methoxy-4-[(E)-[[2-[(3-methyl-1H-benzimidazol-3-ium-2-yl)sulfanyl]acetyl]hydrazono]methyl]phenolate CAS Name: 2-bromo-6-methoxy-4-[(E)-[[2-[(3-methyl-1H-benzimidazol-3-ium-2-yl)thio]-1-oxoethyl]hydrazinylidene]methyl]phenolate IUPAC Name: 2-bromo-6-methoxy-4-[(E)-[[2-[(3-methyl-1H-benzimidazol-3-ium-2-yl)sulfanyl]acetyl]hydrazinylidene]methyl]phenolate Traditional Name: 2-bromo-6-methoxy-4-[(E)-[[2-[(3-methyl-1H-benzimidazol-3-ium-2-yl)thio]acetyl]hydrazono]methyl]phenolate Formula: C18H17BrN4O3S MolecularWeight: 449.32158

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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