2-chloranyl-4-nitro-6-(pyridin-3-ylcarbonylcarbamothioylamino)phenolate

Systemtic Name: 2-chloranyl-4-nitro-6-(pyridin-3-ylcarbonylcarbamothioylamino)phenolate Openeye Name: 2-chloro-4-nitro-6-(pyridine-3-carbonylcarbamothioylamino)phenolate CAS Name: 2-chloro-4-nitro-6-[[[[oxo(3-pyridinyl)methyl]amino]-sulfanylidenemethyl]amino]phenolate IUPAC Name: 2-chloro-4-nitro-6-(pyridine-3-carbonylcarbamothioylamino)phenolate Traditional Name: 2-chloro-6-(nicotinoylthiocarbamoylamino)-4-nitro-phenolate Formula: C13H8ClN4O4S- MolecularWeight: 351.74502

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H9ClN4O4S/c14-9-4-8(18(21)22)5-10(11(9)19)16-13(23)17-12(20)7-2-1-3-15-6-7/h1-6,19H,(H2,16,17,20,23)/p-1