4-nitro-2-[[(2R)-oxolan-2-yl]methylcarbamothioylamino]phenolate

Systemtic Name: 4-nitro-2-[[(2R)-oxolan-2-yl]methylcarbamothioylamino]phenolate Openeye Name: 4-nitro-2-[[(2R)-tetrahydrofuran-2-yl]methylcarbamothioylamino]phenolate CAS Name: 4-nitro-2-[[[[(2R)-2-oxolanyl]methylamino]-sulfanylidenemethyl]amino]phenolate IUPAC Name: 4-nitro-2-[[(2R)-oxolan-2-yl]methylcarbamothioylamino]phenolate Traditional Name: 4-nitro-2-[[(2R)-tetrahydrofuran-2-yl]methylthiocarbamoylamino]phenolate Formula: C12H14N3O4S- MolecularWeight: 296.32226

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(OC1)CNC(=S)NC2=C(C=CC(=C2)[N+](=O)[O-])[O-]

Isomeric SMILES

C1C[C@@H](OC1)CNC(=S)NC2=C(C=CC(=C2)[N+](=O)[O-])[O-]

InChI

InChI=1S/C12H15N3O4S/c16-11-4-3-8(15(17)18)6-10(11)14-12(20)13-7-9-2-1-5-19-9/h3-4,6,9,16H,1-2,5,7H2,(H2,13,14,20)/p-1/t9-/m1/s1