2-(furan-2-ylmethylcarbamothioylamino)-4-nitro-phenolate

Systemtic Name: 2-(furan-2-ylmethylcarbamothioylamino)-4-nitro-phenolate Openeye Name: 2-(2-furylmethylcarbamothioylamino)-4-nitro-phenolate CAS Name: 2-[[(2-furanylmethylamino)-sulfanylidenemethyl]amino]-4-nitrophenolate IUPAC Name: 2-(furan-2-ylmethylcarbamothioylamino)-4-nitrophenolate Traditional Name: 2-(2-furfurylthiocarbamoylamino)-4-nitro-phenolate Formula: C12H10N3O4S- MolecularWeight: 292.2905

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Descriptors Computed from Structure

Canonical SMILES:

C1=COC(=C1)CNC(=S)NC2=C(C=CC(=C2)[N+](=O)[O-])[O-]

Isomeric SMILES

C1=COC(=C1)CNC(=S)NC2=C(C=CC(=C2)[N+](=O)[O-])[O-]

InChI

InChI=1S/C12H11N3O4S/c16-11-4-3-8(15(17)18)6-10(11)14-12(20)13-7-9-2-1-5-19-9/h1-6,16H,7H2,(H2,13,14,20)/p-1