2-chloranyl-5-[3-(6-oxidanylidene-1H-pyridazin-3-yl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]benzoate

Systemtic Name: 2-chloranyl-5-[3-(6-oxidanylidene-1H-pyridazin-3-yl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]benzoate Openeye Name: 2-chloro-5-[3-(6-oxo-1H-pyridazin-3-yl)-5-thioxo-1H-1,2,4-triazol-4-yl]benzoate CAS Name: 2-chloro-5-[3-(6-oxo-1H-pyridazin-3-yl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]benzoate IUPAC Name: 2-chloro-5-[3-(6-oxo-1H-pyridazin-3-yl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]benzoate Traditional Name: 2-chloro-5-[3-(6-keto-1H-pyridazin-3-yl)-5-thioxo-1H-1,2,4-triazol-4-yl]benzoate Formula: C13H7ClN5O3S- MolecularWeight: 348.74438

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1N2C(=NNC2=S)C3=NNC(=O)C=C3)C(=O)[O-])Cl

Isomeric SMILES

C1=CC(=C(C=C1N2C(=NNC2=S)C3=NNC(=O)C=C3)C(=O)[O-])Cl

InChI

InChI=1S/C13H8ClN5O3S/c14-8-2-1-6(5-7(8)12(21)22)19-11(17-18-13(19)23)9-3-4-10(20)16-15-9/h1-5H,(H,16,20)(H,18,23)(H,21,22)/p-1