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

Systemtic Name: 2-[(E)-[2-[[3-[(2-chlorophenyl)methyl]-1H-benzimidazol-3-ium-2-yl]sulfanyl]ethanoylhydrazinylidene]methyl]phenolate Openeye Name: 2-[(E)-[[2-[[3-[(2-chlorophenyl)methyl]-1H-benzimidazol-3-ium-2-yl]sulfanyl]acetyl]hydrazono]methyl]phenolate CAS Name: 2-[(E)-[[2-[[3-[(2-chlorophenyl)methyl]-1H-benzimidazol-3-ium-2-yl]thio]-1-oxoethyl]hydrazinylidene]methyl]phenolate IUPAC Name: 2-[(E)-[[2-[[3-[(2-chlorophenyl)methyl]-1H-benzimidazol-3-ium-2-yl]sulfanyl]acetyl]hydrazinylidene]methyl]phenolate Traditional Name: 2-[(E)-[[2-[[3-(2-chlorobenzyl)-1H-benzimidazol-3-ium-2-yl]thio]acetyl]hydrazono]methyl]phenolate Formula: C23H19ClN4O2S MolecularWeight: 450.94056

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C[N+]2=C(NC3=CC=CC=C32)SCC(=O)NN=CC4=CC=CC=C4[O-])Cl

Isomeric SMILES

C1=CC=C(C(=C1)C[N+]2=C(NC3=CC=CC=C32)SCC(=O)N/N=C/C4=CC=CC=C4[O-])Cl

InChI

InChI=1S/C23H19ClN4O2S/c24-18-9-3-1-8-17(18)14-28-20-11-5-4-10-19(20)26-23(28)31-15-22(30)27-25-13-16-7-2-6-12-21(16)29/h1-13H,14-15H2,(H2,25,27,29,30)