2-ethoxy-6-[(E)-[2-[(3-ethyl-1H-benzimidazol-3-ium-2-yl)sulfanyl]ethanoylhydrazinylidene]methyl]phenolate

Systemtic Name: 2-ethoxy-6-[(E)-[2-[(3-ethyl-1H-benzimidazol-3-ium-2-yl)sulfanyl]ethanoylhydrazinylidene]methyl]phenolate Openeye Name: 2-ethoxy-6-[(E)-[[2-[(3-ethyl-1H-benzimidazol-3-ium-2-yl)sulfanyl]acetyl]hydrazono]methyl]phenolate CAS Name: 2-ethoxy-6-[(E)-[[2-[(3-ethyl-1H-benzimidazol-3-ium-2-yl)thio]-1-oxoethyl]hydrazinylidene]methyl]phenolate IUPAC Name: 2-ethoxy-6-[(E)-[[2-[(3-ethyl-1H-benzimidazol-3-ium-2-yl)sulfanyl]acetyl]hydrazinylidene]methyl]phenolate Traditional Name: 2-ethoxy-6-[(E)-[[2-[(3-ethyl-1H-benzimidazol-3-ium-2-yl)thio]acetyl]hydrazono]methyl]phenolate Formula: C20H22N4O3S MolecularWeight: 398.47868

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22N4O3S/c1-3-24-16-10-6-5-9-15(16)22-20(24)28-13-18(25)23-21-12-14-8-7-11-17(19(14)26)27-4-2/h5-12H,3-4,13H2,1-2H3,(H2,21,23,25,26)