5-[(4-nitrophenyl)methylsulfanyl]-4-[[(2R)-oxolan-2-yl]methyl]-1,2,4-triazol-3-olate

Systemtic Name: 5-[(4-nitrophenyl)methylsulfanyl]-4-[[(2R)-oxolan-2-yl]methyl]-1,2,4-triazol-3-olate Openeye Name: 5-[(4-nitrophenyl)methylsulfanyl]-4-[[(2R)-tetrahydrofuran-2-yl]methyl]-1,2,4-triazol-3-olate CAS Name: 5-[(4-nitrophenyl)methylthio]-4-[[(2R)-2-oxolanyl]methyl]-1,2,4-triazol-3-olate IUPAC Name: 5-[(4-nitrophenyl)methylsulfanyl]-4-[[(2R)-oxolan-2-yl]methyl]-1,2,4-triazol-3-olate Traditional Name: 5-[(4-nitrobenzyl)thio]-4-[[(2R)-tetrahydrofuran-2-yl]methyl]-1,2,4-triazol-3-olate Formula: C14H15N4O4S- MolecularWeight: 335.3583

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(OC1)CN2C(=NN=C2SCC3=CC=C(C=C3)[N+](=O)[O-])[O-]

Isomeric SMILES

C1C[C@@H](OC1)CN2C(=NN=C2SCC3=CC=C(C=C3)[N+](=O)[O-])[O-]

InChI

InChI=1S/C14H16N4O4S/c19-13-15-16-14(17(13)8-12-2-1-7-22-12)23-9-10-3-5-11(6-4-10)18(20)21/h3-6,12H,1-2,7-9H2,(H,15,19)/p-1/t12-/m1/s1