2-[(Z)-[2-(1H-benzimidazol-2-ylsulfanyl)ethanoylhydrazinylidene]methyl]-4-nitro-phenolate

Systemtic Name: 2-[(Z)-[2-(1H-benzimidazol-2-ylsulfanyl)ethanoylhydrazinylidene]methyl]-4-nitro-phenolate Openeye Name: 2-[(Z)-[[2-(1H-benzimidazol-2-ylsulfanyl)acetyl]hydrazono]methyl]-4-nitro-phenolate CAS Name: 2-[(Z)-[[2-(1H-benzimidazol-2-ylthio)-1-oxoethyl]hydrazinylidene]methyl]-4-nitrophenolate IUPAC Name: 2-[(Z)-[[2-(1H-benzimidazol-2-ylsulfanyl)acetyl]hydrazinylidene]methyl]-4-nitrophenolate Traditional Name: 2-[(Z)-[[2-(1H-benzimidazol-2-ylthio)acetyl]hydrazono]methyl]-4-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)N/N=C\C3=C(C=CC(=C3)[N+](=O)[O-])[O-]

InChI

InChI=1S/C16H13N5O4S/c22-14-6-5-11(21(24)25)7-10(14)8-17-20-15(23)9-26-16-18-12-3-1-2-4-13(12)19-16/h1-8,22H,9H2,(H,18,19)(H,20,23)/p-1/b17-8-