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

Systemtic Name: 2-chloranyl-6-[(1-ethylpyrazol-4-yl)carbonylcarbamothioylamino]-4-nitro-phenolate Openeye Name: 2-chloro-6-[(1-ethylpyrazole-4-carbonyl)carbamothioylamino]-4-nitro-phenolate CAS Name: 2-chloro-6-[[[[(1-ethyl-4-pyrazolyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]-4-nitrophenolate IUPAC Name: 2-chloro-6-[(1-ethylpyrazole-4-carbonyl)carbamothioylamino]-4-nitrophenolate Traditional Name: 2-chloro-6-[(1-ethylpyrazole-4-carbonyl)thiocarbamoylamino]-4-nitro-phenolate Formula: C13H11ClN5O4S- MolecularWeight: 368.77554

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H12ClN5O4S/c1-2-18-6-7(5-15-18)12(21)17-13(24)16-10-4-8(19(22)23)3-9(14)11(10)20/h3-6,20H,2H2,1H3,(H2,16,17,21,24)/p-1