2-[[2-(1H-benzimidazol-2-ylsulfanyl)ethanoylhydrazinylidene]methyl]-6-nitro-phenolate

Systemtic Name: 2-[[2-(1H-benzimidazol-2-ylsulfanyl)ethanoylhydrazinylidene]methyl]-6-nitro-phenolate Openeye Name: 2-[[[2-(1H-benzimidazol-2-ylsulfanyl)acetyl]hydrazono]methyl]-6-nitro-phenolate CAS Name: 2-[[[2-(1H-benzimidazol-2-ylthio)-1-oxoethyl]hydrazinylidene]methyl]-6-nitrophenolate IUPAC Name: 2-[[[2-(1H-benzimidazol-2-ylsulfanyl)acetyl]hydrazinylidene]methyl]-6-nitrophenolate Traditional Name: 2-[[[2-(1H-benzimidazol-2-ylthio)acetyl]hydrazono]methyl]-6-nitro-phenolate Formula: C16H12N5O4S- MolecularWeight: 370.36258

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)NC(=N2)SCC(=O)NN=CC3=C(C(=CC=C3)[N+](=O)[O-])[O-]

Isomeric SMILES

C1=CC=C2C(=C1)NC(=N2)SCC(=O)NN=CC3=C(C(=CC=C3)[N+](=O)[O-])[O-]

InChI

InChI=1S/C16H13N5O4S/c22-14(9-26-16-18-11-5-1-2-6-12(11)19-16)20-17-8-10-4-3-7-13(15(10)23)21(24)25/h1-8,23H,9H2,(H,18,19)(H,20,22)/p-1