2-(1H-benzimidazol-2-ylsulfanylmethyl)-4-nitro-phenolate

Systemtic Name: 2-(1H-benzimidazol-2-ylsulfanylmethyl)-4-nitro-phenolate Openeye Name: 2-(1H-benzimidazol-2-ylsulfanylmethyl)-4-nitro-phenolate CAS Name: 2-[(1H-benzimidazol-2-ylthio)methyl]-4-nitrophenolate IUPAC Name: 2-(1H-benzimidazol-2-ylsulfanylmethyl)-4-nitrophenolate Traditional Name: 2-[(1H-benzimidazol-2-ylthio)methyl]-4-nitro-phenolate Formula: C14H10N3O3S- MolecularWeight: 300.3125

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)NC(=N2)SCC3=C(C=CC(=C3)[N+](=O)[O-])[O-]

Isomeric SMILES

C1=CC=C2C(=C1)NC(=N2)SCC3=C(C=CC(=C3)[N+](=O)[O-])[O-]

InChI

InChI=1S/C14H11N3O3S/c18-13-6-5-10(17(19)20)7-9(13)8-21-14-15-11-3-1-2-4-12(11)16-14/h1-7,18H,8H2,(H,15,16)/p-1