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

Systemtic Name: 2-[(4-bromanyl-2-methyl-pyrazol-3-yl)carbonylcarbamothioylamino]-6-chloranyl-4-nitro-phenolate Openeye Name: 2-[(4-bromo-2-methyl-pyrazole-3-carbonyl)carbamothioylamino]-6-chloro-4-nitro-phenolate CAS Name: 2-[[[[(4-bromo-2-methyl-3-pyrazolyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]-6-chloro-4-nitrophenolate IUPAC Name: 2-[(4-bromo-2-methylpyrazole-3-carbonyl)carbamothioylamino]-6-chloro-4-nitrophenolate Traditional Name: 2-[(4-bromo-2-methyl-pyrazole-3-carbonyl)thiocarbamoylamino]-6-chloro-4-nitro-phenolate Formula: C12H8BrClN5O4S- MolecularWeight: 433.64502

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H9BrClN5O4S/c1-18-9(6(13)4-15-18)11(21)17-12(24)16-8-3-5(19(22)23)2-7(14)10(8)20/h2-4,20H,1H3,(H2,16,17,21,24)/p-1