1-(2,4-dinitrophenyl)-5-methylsulfanyl-1,2,4-triazol-3-olate

Systemtic Name: 1-(2,4-dinitrophenyl)-5-methylsulfanyl-1,2,4-triazol-3-olate Openeye Name: 1-(2,4-dinitrophenyl)-5-methylsulfanyl-1,2,4-triazol-3-olate CAS Name: 1-(2,4-dinitrophenyl)-5-(methylthio)-1,2,4-triazol-3-olate IUPAC Name: 1-(2,4-dinitrophenyl)-5-methylsulfanyl-1,2,4-triazol-3-olate Traditional Name: 1-(2,4-dinitrophenyl)-5-(methylthio)-1,2,4-triazol-3-olate Formula: C9H6N5O5S- MolecularWeight: 296.23944

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC(=NN1C2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-])[O-]

Isomeric SMILES

CSC1=NC(=NN1C2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-])[O-]

InChI

InChI=1S/C9H7N5O5S/c1-20-9-10-8(15)11-12(9)6-3-2-5(13(16)17)4-7(6)14(18)19/h2-4H,1H3,(H,11,15)/p-1