2-chloranyl-6-[(1-methylpyrazol-3-yl)carbonylcarbamothioylamino]-4-nitro-phenolate

Systemtic Name: 2-chloranyl-6-[(1-methylpyrazol-3-yl)carbonylcarbamothioylamino]-4-nitro-phenolate Openeye Name: 2-chloro-6-[(1-methylpyrazole-3-carbonyl)carbamothioylamino]-4-nitro-phenolate CAS Name: 2-chloro-6-[[[[(1-methyl-3-pyrazolyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]-4-nitrophenolate IUPAC Name: 2-chloro-6-[(1-methylpyrazole-3-carbonyl)carbamothioylamino]-4-nitrophenolate Traditional Name: 2-chloro-6-[(1-methylpyrazole-3-carbonyl)thiocarbamoylamino]-4-nitro-phenolate Formula: C12H9ClN5O4S- MolecularWeight: 354.74896

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CC(=N1)C(=O)NC(=S)NC2=CC(=CC(=C2[O-])Cl)[N+](=O)[O-]

Isomeric SMILES

CN1C=CC(=N1)C(=O)NC(=S)NC2=CC(=CC(=C2[O-])Cl)[N+](=O)[O-]

InChI

InChI=1S/C12H10ClN5O4S/c1-17-3-2-8(16-17)11(20)15-12(23)14-9-5-6(18(21)22)4-7(13)10(9)19/h2-5,19H,1H3,(H2,14,15,20,23)/p-1