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

Systemtic Name: 2-methoxy-4-[(E)-[2-[(3-methyl-1H-benzimidazol-3-ium-2-yl)sulfanyl]ethanoylhydrazinylidene]methyl]phenolate Openeye Name: 2-methoxy-4-[(E)-[[2-[(3-methyl-1H-benzimidazol-3-ium-2-yl)sulfanyl]acetyl]hydrazono]methyl]phenolate CAS Name: 2-methoxy-4-[(E)-[[2-[(3-methyl-1H-benzimidazol-3-ium-2-yl)thio]-1-oxoethyl]hydrazinylidene]methyl]phenolate IUPAC Name: 2-methoxy-4-[(E)-[[2-[(3-methyl-1H-benzimidazol-3-ium-2-yl)sulfanyl]acetyl]hydrazinylidene]methyl]phenolate Traditional Name: 2-methoxy-4-[(E)-[[2-[(3-methyl-1H-benzimidazol-3-ium-2-yl)thio]acetyl]hydrazono]methyl]phenolate Formula: C18H18N4O3S MolecularWeight: 370.42552

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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)[O-])OC

Isomeric SMILES

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

InChI

InChI=1S/C18H18N4O3S/c1-22-14-6-4-3-5-13(14)20-18(22)26-11-17(24)21-19-10-12-7-8-15(23)16(9-12)25-2/h3-10H,11H2,1-2H3,(H2,19,21,23,24)