2-chloranyl-6-[(4-chloranyl-2-ethyl-pyrazol-3-yl)carbonylcarbamothioylamino]-4-nitro-phenolate

Systemtic Name: 2-chloranyl-6-[(4-chloranyl-2-ethyl-pyrazol-3-yl)carbonylcarbamothioylamino]-4-nitro-phenolate Openeye Name: 2-chloro-6-[(4-chloro-2-ethyl-pyrazole-3-carbonyl)carbamothioylamino]-4-nitro-phenolate CAS Name: 2-chloro-6-[[[[(4-chloro-2-ethyl-3-pyrazolyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]-4-nitrophenolate IUPAC Name: 2-chloro-6-[(4-chloro-2-ethylpyrazole-3-carbonyl)carbamothioylamino]-4-nitrophenolate Traditional Name: 2-chloro-6-[(4-chloro-2-ethyl-pyrazole-3-carbonyl)thiocarbamoylamino]-4-nitro-phenolate Formula: C13H10Cl2N5O4S- MolecularWeight: 403.2206

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C(C=N1)Cl)C(=O)NC(=S)NC2=CC(=CC(=C2[O-])Cl)[N+](=O)[O-]

Isomeric SMILES

CCN1C(=C(C=N1)Cl)C(=O)NC(=S)NC2=CC(=CC(=C2[O-])Cl)[N+](=O)[O-]

InChI

InChI=1S/C13H11Cl2N5O4S/c1-2-19-10(8(15)5-16-19)12(22)18-13(25)17-9-4-6(20(23)24)3-7(14)11(9)21/h3-5,21H,2H2,1H3,(H2,17,18,22,25)/p-1