4-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-2-nitro-phenolate

Systemtic Name: 4-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-2-nitro-phenolate Openeye Name: 4-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-2-nitro-phenolate CAS Name: 4-[[(5-methyl-1H-1,2,4-triazol-3-yl)thio]methyl]-2-nitrophenolate IUPAC Name: 4-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-2-nitrophenolate Traditional Name: 4-[[(5-methyl-1H-1,2,4-triazol-3-yl)thio]methyl]-2-nitro-phenolate Formula: C10H9N4O3S- MolecularWeight: 265.26846

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NN1)SCC2=CC(=C(C=C2)[O-])[N+](=O)[O-]

Isomeric SMILES

CC1=NC(=NN1)SCC2=CC(=C(C=C2)[O-])[N+](=O)[O-]

InChI

InChI=1S/C10H10N4O3S/c1-6-11-10(13-12-6)18-5-7-2-3-9(15)8(4-7)14(16)17/h2-4,15H,5H2,1H3,(H,11,12,13)/p-1