4-[(E)-[2-(1H-benzimidazol-3-ium-2-ylsulfanyl)ethanoylhydrazinylidene]methyl]-2-ethoxy-6-nitro-phenolate

Systemtic Name: 4-[(E)-[2-(1H-benzimidazol-3-ium-2-ylsulfanyl)ethanoylhydrazinylidene]methyl]-2-ethoxy-6-nitro-phenolate Openeye Name: 4-[(E)-[[2-(1H-benzimidazol-3-ium-2-ylsulfanyl)acetyl]hydrazono]methyl]-2-ethoxy-6-nitro-phenolate CAS Name: 4-[(E)-[[2-(1H-benzimidazol-3-ium-2-ylthio)-1-oxoethyl]hydrazinylidene]methyl]-2-ethoxy-6-nitrophenolate IUPAC Name: 4-[(E)-[[2-(1H-benzimidazol-3-ium-2-ylsulfanyl)acetyl]hydrazinylidene]methyl]-2-ethoxy-6-nitrophenolate Traditional Name: 4-[(E)-[[2-(1H-benzimidazol-3-ium-2-ylthio)acetyl]hydrazono]methyl]-2-ethoxy-6-nitro-phenolate Formula: C18H17N5O5S MolecularWeight: 415.42308

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=CC(=C1[O-])[N+](=O)[O-])C=NNC(=O)CSC2=[NH+]C3=CC=CC=C3N2

Isomeric SMILES

CCOC1=CC(=CC(=C1[O-])[N+](=O)[O-])/C=N/NC(=O)CSC2=[NH+]C3=CC=CC=C3N2

InChI

InChI=1S/C18H17N5O5S/c1-2-28-15-8-11(7-14(17(15)25)23(26)27)9-19-22-16(24)10-29-18-20-12-5-3-4-6-13(12)21-18/h3-9,25H,2,10H2,1H3,(H,20,21)(H,22,24)/b19-9+