5-[(4-nitrophenyl)sulfanylmethyl]-1H-1,2,4-triazol-3-olate

Systemtic Name: 5-[(4-nitrophenyl)sulfanylmethyl]-1H-1,2,4-triazol-3-olate Openeye Name: 5-[(4-nitrophenyl)sulfanylmethyl]-1H-1,2,4-triazol-3-olate CAS Name: 5-[[(4-nitrophenyl)thio]methyl]-1H-1,2,4-triazol-3-olate IUPAC Name: 5-[(4-nitrophenyl)sulfanylmethyl]-1H-1,2,4-triazol-3-olate Traditional Name: 5-[[(4-nitrophenyl)thio]methyl]-1H-1,2,4-triazol-3-olate Formula: C9H7N4O3S- MolecularWeight: 251.24188

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1[N+](=O)[O-])SCC2=NC(=NN2)[O-]

Isomeric SMILES

C1=CC(=CC=C1[N+](=O)[O-])SCC2=NC(=NN2)[O-]

InChI

InChI=1S/C9H8N4O3S/c14-9-10-8(11-12-9)5-17-7-3-1-6(2-4-7)13(15)16/h1-4H,5H2,(H2,10,11,12,14)/p-1