4-nitro-2-(pyridin-3-ylcarbonylcarbamothioylamino)phenolate

Systemtic Name: 4-nitro-2-(pyridin-3-ylcarbonylcarbamothioylamino)phenolate Openeye Name: 4-nitro-2-(pyridine-3-carbonylcarbamothioylamino)phenolate CAS Name: 4-nitro-2-[[[[oxo(3-pyridinyl)methyl]amino]-sulfanylidenemethyl]amino]phenolate IUPAC Name: 4-nitro-2-(pyridine-3-carbonylcarbamothioylamino)phenolate Traditional Name: 2-(nicotinoylthiocarbamoylamino)-4-nitro-phenolate Formula: C13H9N4O4S- MolecularWeight: 317.29996

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CN=C1)C(=O)NC(=S)NC2=C(C=CC(=C2)[N+](=O)[O-])[O-]

Isomeric SMILES

C1=CC(=CN=C1)C(=O)NC(=S)NC2=C(C=CC(=C2)[N+](=O)[O-])[O-]

InChI

InChI=1S/C13H10N4O4S/c18-11-4-3-9(17(20)21)6-10(11)15-13(22)16-12(19)8-2-1-5-14-7-8/h1-7,18H,(H2,15,16,19,22)/p-1