4-[(4-azanyl-1,2,4-triazol-3-yl)sulfanylmethyl]-2-nitro-phenolate

Systemtic Name: 4-[(4-azanyl-1,2,4-triazol-3-yl)sulfanylmethyl]-2-nitro-phenolate Openeye Name: 4-[(4-amino-1,2,4-triazol-3-yl)sulfanylmethyl]-2-nitro-phenolate CAS Name: 4-[[(4-amino-1,2,4-triazol-3-yl)thio]methyl]-2-nitrophenolate IUPAC Name: 4-[(4-amino-1,2,4-triazol-3-yl)sulfanylmethyl]-2-nitrophenolate Traditional Name: 4-[[(4-amino-1,2,4-triazol-3-yl)thio]methyl]-2-nitro-phenolate Formula: C9H8N5O3S- MolecularWeight: 266.25652

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1CSC2=NN=CN2N)[N+](=O)[O-])[O-]

Isomeric SMILES

C1=CC(=C(C=C1CSC2=NN=CN2N)[N+](=O)[O-])[O-]

InChI

InChI=1S/C9H9N5O3S/c10-13-5-11-12-9(13)18-4-6-1-2-8(15)7(3-6)14(16)17/h1-3,5,15H,4,10H2/p-1