5-[(4-methoxy-3-nitro-phenyl)methylsulfanylmethyl]-1H-1,2,4-triazol-3-olate

Systemtic Name: 5-[(4-methoxy-3-nitro-phenyl)methylsulfanylmethyl]-1H-1,2,4-triazol-3-olate Openeye Name: 5-[(4-methoxy-3-nitro-phenyl)methylsulfanylmethyl]-1H-1,2,4-triazol-3-olate CAS Name: 5-[[(4-methoxy-3-nitrophenyl)methylthio]methyl]-1H-1,2,4-triazol-3-olate IUPAC Name: 5-[(4-methoxy-3-nitrophenyl)methylsulfanylmethyl]-1H-1,2,4-triazol-3-olate Traditional Name: 5-[[(4-methoxy-3-nitro-benzyl)thio]methyl]-1H-1,2,4-triazol-3-olate Formula: C11H11N4O4S- MolecularWeight: 295.29444

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CSCC2=NC(=NN2)[O-])[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1)CSCC2=NC(=NN2)[O-])[N+](=O)[O-]

InChI

InChI=1S/C11H12N4O4S/c1-19-9-3-2-7(4-8(9)15(17)18)5-20-6-10-12-11(16)14-13-10/h2-4H,5-6H2,1H3,(H2,12,13,14,16)/p-1