4-[[azaniumylidene(azanyl)methyl]sulfanylmethyl]-2-nitro-phenolate

Systemtic Name: 4-[[azaniumylidene(azanyl)methyl]sulfanylmethyl]-2-nitro-phenolate Openeye Name: 4-[[amino(azaniumylidene)methyl]sulfanylmethyl]-2-nitro-phenolate CAS Name: 4-[[[amino(iminio)methyl]thio]methyl]-2-nitrophenolate IUPAC Name: 4-[[amino(azaniumylidene)methyl]sulfanylmethyl]-2-nitrophenolate Traditional Name: 4-[[[amino(iminio)methyl]thio]methyl]-2-nitro-phenolate Formula: C8H9N3O3S MolecularWeight: 227.24036

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1CSC(=[NH2+])N)[N+](=O)[O-])[O-]

Isomeric SMILES

C1=CC(=C(C=C1CSC(=[NH2+])N)[N+](=O)[O-])[O-]

InChI

InChI=1S/C8H9N3O3S/c9-8(10)15-4-5-1-2-7(12)6(3-5)11(13)14/h1-3,12H,4H2,(H3,9,10)