2-[(2Z)-2-[1-carbamothioyl-3-(4-nitrophenyl)-5-oxidanylidene-pyrazol-4-ylidene]hydrazinyl]benzoate

Systemtic Name: 2-[(2Z)-2-[1-carbamothioyl-3-(4-nitrophenyl)-5-oxidanylidene-pyrazol-4-ylidene]hydrazinyl]benzoate Openeye Name: 2-[(2Z)-2-[1-carbamothioyl-3-(4-nitrophenyl)-5-oxo-pyrazol-4-ylidene]hydrazino]benzoate CAS Name: 2-[(2Z)-2-[1-carbamothioyl-3-(4-nitrophenyl)-5-oxo-4-pyrazolylidene]hydrazinyl]benzoate IUPAC Name: 2-[(2Z)-2-[1-carbamothioyl-3-(4-nitrophenyl)-5-oxopyrazol-4-ylidene]hydrazinyl]benzoate Traditional Name: 2-[(N'Z)-N'-[5-keto-3-(4-nitrophenyl)-1-thiocarbamoyl-2-pyrazolin-4-ylidene]hydrazino]benzoate Formula: C17H11N6O5S- MolecularWeight: 411.37144

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)[O-])NN=C2C(=NN(C2=O)C(=S)N)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)[O-])N/N=C\2/C(=NN(C2=O)C(=S)N)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H12N6O5S/c18-17(29)22-15(24)14(20-19-12-4-2-1-3-11(12)16(25)26)13(21-22)9-5-7-10(8-6-9)23(27)28/h1-8,19H,(H2,18,29)(H,25,26)/p-1/b20-14-