4-[(E)-[[4-(1H-benzimidazol-3-ium-2-ylsulfanylmethyl)phenyl]carbonylhydrazinylidene]methyl]benzoate

Systemtic Name: 4-[(E)-[[4-(1H-benzimidazol-3-ium-2-ylsulfanylmethyl)phenyl]carbonylhydrazinylidene]methyl]benzoate Openeye Name: 4-[(E)-[[4-(1H-benzimidazol-3-ium-2-ylsulfanylmethyl)benzoyl]hydrazono]methyl]benzoate CAS Name: 4-[(E)-[[[4-[(1H-benzimidazol-3-ium-2-ylthio)methyl]phenyl]-oxomethyl]hydrazinylidene]methyl]benzoate IUPAC Name: 4-[(E)-[[4-(1H-benzimidazol-3-ium-2-ylsulfanylmethyl)benzoyl]hydrazinylidene]methyl]benzoate Traditional Name: 4-[(E)-[[4-[(1H-benzimidazol-3-ium-2-ylthio)methyl]benzoyl]hydrazono]methyl]benzoate Formula: C23H18N4O3S MolecularWeight: 430.47902

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)NC(=[NH+]2)SCC3=CC=C(C=C3)C(=O)NN=CC4=CC=C(C=C4)C(=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)NC(=[NH+]2)SCC3=CC=C(C=C3)C(=O)N/N=C/C4=CC=C(C=C4)C(=O)[O-]

InChI

InChI=1S/C23H18N4O3S/c28-21(27-24-13-15-5-11-18(12-6-15)22(29)30)17-9-7-16(8-10-17)14-31-23-25-19-3-1-2-4-20(19)26-23/h1-13H,14H2,(H,25,26)(H,27,28)(H,29,30)/b24-13+