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

Systemtic Name: 4-bromanyl-2-[(E)-[2-[(3-methyl-1H-benzimidazol-3-ium-2-yl)sulfanyl]ethanoylhydrazinylidene]methyl]phenolate Openeye Name: 4-bromo-2-[(E)-[[2-[(3-methyl-1H-benzimidazol-3-ium-2-yl)sulfanyl]acetyl]hydrazono]methyl]phenolate CAS Name: 4-bromo-2-[(E)-[[2-[(3-methyl-1H-benzimidazol-3-ium-2-yl)thio]-1-oxoethyl]hydrazinylidene]methyl]phenolate IUPAC Name: 4-bromo-2-[(E)-[[2-[(3-methyl-1H-benzimidazol-3-ium-2-yl)sulfanyl]acetyl]hydrazinylidene]methyl]phenolate Traditional Name: 4-bromo-2-[(E)-[[2-[(3-methyl-1H-benzimidazol-3-ium-2-yl)thio]acetyl]hydrazono]methyl]phenolate Formula: C17H15BrN4O2S MolecularWeight: 419.2956

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H15BrN4O2S/c1-22-14-5-3-2-4-13(14)20-17(22)25-10-16(24)21-19-9-11-8-12(18)6-7-15(11)23/h2-9H,10H2,1H3,(H2,19,21,23,24)