N-[bis(azanyl)methylidene]-2-chloranyl-5-methylsulfonyl-4-[(6-oxidanylidene-1H-pyridazin-3-yl)oxy]benzamide

Systemtic Name: N-[bis(azanyl)methylidene]-2-chloranyl-5-methylsulfonyl-4-[(6-oxidanylidene-1H-pyridazin-3-yl)oxy]benzamide Openeye Name: 2-chloro-N-(diaminomethylene)-5-methylsulfonyl-4-[(6-oxo-1H-pyridazin-3-yl)oxy]benzamide CAS Name: 2-chloro-N-(diaminomethylidene)-5-methylsulfonyl-4-[(6-oxo-1H-pyridazin-3-yl)oxy]benzamide IUPAC Name: 2-chloro-N-(diaminomethylidene)-5-methylsulfonyl-4-[(6-oxo-1H-pyridazin-3-yl)oxy]benzamide Traditional Name: 2-chloro-N-(diaminomethylene)-4-[(6-keto-1H-pyridazin-3-yl)oxy]-5-mesyl-benzamide Formula: C13H12ClN5O5S MolecularWeight: 385.78288

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=C(C=C(C(=C1)C(=O)N=C(N)N)Cl)OC2=NNC(=O)C=C2

Isomeric SMILES

CS(=O)(=O)C1=C(C=C(C(=C1)C(=O)N=C(N)N)Cl)OC2=NNC(=O)C=C2

InChI

InChI=1S/C13H12ClN5O5S/c1-25(22,23)9-4-6(12(21)17-13(15)16)7(14)5-8(9)24-11-3-2-10(20)18-19-11/h2-5H,1H3,(H,18,20)(H4,15,16,17,21)